11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine

C31H65N — CID 139722518

IUPAC11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
SMILESCCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
InChIInChI=1S/C31H65N/c1-6-7-22-27-32(28-23-18-14-10-8-12-16-20-25-30(2)3)29-24-19-15-11-9-13-17-21-26-31(4)5/h30-31H,6-29H2,1-5H3
InChIKeyQJANFYCEYIZLRF-UHFFFAOYSA-N
MW451.87 g/mol
LogP10.81
Rot. Bonds26

About 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine

11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine (PubChem CID 139722518) has the molecular formula C31H65N and a molecular weight of 451.87 g/mol. Its IUPAC name is 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine.

Molecular Properties

Compound Name11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
PubChem CID139722518
Molecular FormulaC31H65N
Molecular Weight451.87 g/mol
Exact Mass451.51
IUPAC Name11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
SMILESCCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
InChIInChI=1S/C31H65N/c1-6-7-22-27-32(28-23-18-14-10-8-12-16-20-25-30(2)3)29-24-19-15-11-9-13-17-21-26-31(4)5/h30-31H,6-29H2,1-5H3
InChIKeyQJANFYCEYIZLRF-UHFFFAOYSA-N
XLogP10.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.87
LogP ≤ 510.81
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

N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
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-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246
8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
CID 139723771
N,N-diheptyl-16-methylheptadecan-1-amine
CID 139723972

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine?
The IUPAC name of 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine (CID 139722518) is 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine.
What is the SMILES notation for 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine?
The canonical SMILES for 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine is CCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C.
What is the InChIKey of 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine?
The InChIKey is QJANFYCEYIZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65N/c1-6-7-22-27-32(28-23-18-14-10-8-12-16-20-25-30(2)3)29-24-19-15-11-9-13-17-21-26-31(4)5/h30-31H,6-29H2,1-5H3.
What are the key properties of 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine?
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine has a molecular weight of 451.87 g/mol, XLogP of 10.81, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine is sourced from PubChem (CID 139722518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).