5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine

C19H40N2 — CID 15030040

IUPAC5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
SMILESCC(C)CCCCN(CCCN1CCCC1)CCC(C)C
InChIInChI=1S/C19H40N2/c1-18(2)10-5-6-12-21(17-11-19(3)4)16-9-15-20-13-7-8-14-20/h18-19H,5-17H2,1-4H3
InChIKeyORCCIZMLTWPFKH-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.65
Rot. Bonds12

About 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine

5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine (PubChem CID 15030040) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
PubChem CID15030040
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
SMILESCC(C)CCCCN(CCCN1CCCC1)CCC(C)C
InChIInChI=1S/C19H40N2/c1-18(2)10-5-6-12-21(17-11-19(3)4)16-9-15-20-13-7-8-14-20/h18-19H,5-17H2,1-4H3
InChIKeyORCCIZMLTWPFKH-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
CID 142586854
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
N-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 63389180
5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine
CID 174259424
1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol
CID 58527607
N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 3062538
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine (CID 15030040) is 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine is CC(C)CCCCN(CCCN1CCCC1)CCC(C)C.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine?
The InChIKey is ORCCIZMLTWPFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-18(2)10-5-6-12-21(17-11-19(3)4)16-9-15-20-13-7-8-14-20/h18-19H,5-17H2,1-4H3.
What are the key properties of 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine?
5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine is sourced from PubChem (CID 15030040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).