7-methyl-N,N-dipropyloctan-1-amine

C15H33N — CID 140640733

IUPAC7-methyl-N,N-dipropyloctan-1-amine
SMILESCCCN(CCC)CCCCCCC(C)C
InChIInChI=1S/C15H33N/c1-5-12-16(13-6-2)14-10-8-7-9-11-15(3)4/h15H,5-14H2,1-4H3
InChIKeyJHHJXAOBBBJGFW-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.71
Rot. Bonds11

About 7-methyl-N,N-dipropyloctan-1-amine

7-methyl-N,N-dipropyloctan-1-amine (PubChem CID 140640733) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 7-methyl-N,N-dipropyloctan-1-amine.

Molecular Properties

Compound Name7-methyl-N,N-dipropyloctan-1-amine
PubChem CID140640733
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name7-methyl-N,N-dipropyloctan-1-amine
SMILESCCCN(CCC)CCCCCCC(C)C
InChIInChI=1S/C15H33N/c1-5-12-16(13-6-2)14-10-8-7-9-11-15(3)4/h15H,5-14H2,1-4H3
InChIKeyJHHJXAOBBBJGFW-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

15-methyl-N,N-dipropylhexadecan-1-amine
CID 139724040
N-heptadecyl-N-(11-methyldodecyl)heptadecan-1-amine
CID 139723018
N,N-di(heptadecyl)-16-methylheptadecan-1-amine
CID 139722751
13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
CID 139723818
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N,N-dipropyloctan-1-amine?
The IUPAC name of 7-methyl-N,N-dipropyloctan-1-amine (CID 140640733) is 7-methyl-N,N-dipropyloctan-1-amine.
What is the SMILES notation for 7-methyl-N,N-dipropyloctan-1-amine?
The canonical SMILES for 7-methyl-N,N-dipropyloctan-1-amine is CCCN(CCC)CCCCCCC(C)C.
What is the InChIKey of 7-methyl-N,N-dipropyloctan-1-amine?
The InChIKey is JHHJXAOBBBJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-5-12-16(13-6-2)14-10-8-7-9-11-15(3)4/h15H,5-14H2,1-4H3.
What are the key properties of 7-methyl-N,N-dipropyloctan-1-amine?
7-methyl-N,N-dipropyloctan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N,N-dipropyloctan-1-amine is sourced from PubChem (CID 140640733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).