2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine

C17H34N2 — CID 112681595

IUPAC2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C(CC)CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H34N2/c1-5-10-18-17(13(6-2)7-3)14-11-15-8-9-16(12-14)19(15)4/h13-18H,5-12H2,1-4H3
InChIKeyMQSWZXPTCKPSOB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds7

About 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine

2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine (PubChem CID 112681595) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
PubChem CID112681595
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C(CC)CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H34N2/c1-5-10-18-17(13(6-2)7-3)14-11-15-8-9-16(12-14)19(15)4/h13-18H,5-12H2,1-4H3
InChIKeyMQSWZXPTCKPSOB-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
CID 112681381
N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 112681244
1-cyclopropyl-2-ethyl-N-propylhexan-1-amine
CID 104994116
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
[2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentyl]hydrazine
CID 107895308
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 112680991
(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 104932359
N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 115998333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine (CID 112681595) is 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine is CCCNC(C(CC)CC)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
The InChIKey is MQSWZXPTCKPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-10-18-17(13(6-2)7-3)14-11-15-8-9-16(12-14)19(15)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 112681595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).