1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine

C59H126N6 — CID 160621040

IUPAC1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)NC1CN2CCC1CC2.CC1CCN(C(C)C)CC1.CCC.CCCCC(C)C.CCN1CCCC1CCC(C)C
InChIInChI=1S/C11H23N.C10H20N2.C10H21N.2C9H19N.C7H16.C3H8/c1-4-12-9-5-6-11(12)8-7-10(2)3;1-8(2)11-10-7-12-5-3-9(10)4-6-12;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)10-6-4-9(3)5-7-10;1-9(2)5-8-10-6-3-4-7-10;1-4-5-6-7(2)3;1-3-2/h10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;10H,3-9H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyRGSABEMIOKGFKG-UHFFFAOYSA-N
MW919.70 g/mol
LogP15.01
Rot. Bonds16

About 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine

1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 160621040) has the molecular formula C59H126N6 and a molecular weight of 919.70 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID160621040
Molecular FormulaC59H126N6
Molecular Weight919.70 g/mol
Exact Mass919.00
IUPAC Name1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)NC1CN2CCC1CC2.CC1CCN(C(C)C)CC1.CCC.CCCCC(C)C.CCN1CCCC1CCC(C)C
InChIInChI=1S/C11H23N.C10H20N2.C10H21N.2C9H19N.C7H16.C3H8/c1-4-12-9-5-6-11(12)8-7-10(2)3;1-8(2)11-10-7-12-5-3-9(10)4-6-12;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)10-6-4-9(3)5-7-10;1-9(2)5-8-10-6-3-4-7-10;1-4-5-6-7(2)3;1-3-2/h10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;10H,3-9H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyRGSABEMIOKGFKG-UHFFFAOYSA-N
XLogP15.01
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.70
LogP ≤ 515.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
2-(2-Azabicyclo[2.2.1]heptan-3-yl)-6-(2-azabicyclo[2.2.2]octan-1-yl)-1-azabicyclo[2.2.2]octane
CID 130235697
Potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
CID 156707594
N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;N-tert-butyl-1-ethylpiperidin-3-amine;N-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 157154558
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157259153
1,2,2,6,6-Pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,6,6-tetraethyl-1-methylpiperidine;2,2,6,6-tetraethylpiperidine;2,2,6,6-tetramethylpiperidine;2,2,5,5-tetramethylpyrrolidine
CID 157305264
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157426798
1-Azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;2,5-diazabicyclo[2.2.1]heptane;ethane
CID 157685174
1-Tert-butyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine
CID 157739740
(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157948271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine (CID 160621040) is 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine is CC(C)CCN1CCCC1.CC(C)CCN1CCCCC1.CC(C)NC1CN2CCC1CC2.CC1CCN(C(C)C)CC1.CCC.CCCCC(C)C.CCN1CCCC1CCC(C)C.
What is the InChIKey of 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is RGSABEMIOKGFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H20N2.C10H21N.2C9H19N.C7H16.C3H8/c1-4-12-9-5-6-11(12)8-7-10(2)3;1-8(2)11-10-7-12-5-3-9(10)4-6-12;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)10-6-4-9(3)5-7-10;1-9(2)5-8-10-6-3-4-7-10;1-4-5-6-7(2)3;1-3-2/h10-11H,4-9H2,1-3H3;8-11H,3-7H2,1-2H3;10H,3-9H2,1-2H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7H,4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 919.70 g/mol, XLogP of 15.01, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;2-methylhexane;4-methyl-1-propan-2-ylpiperidine;propane;N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 160621040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).