13-methyl-N,N-di(tetradecyl)tetradecan-1-amine

C43H89N — CID 139722739

IUPAC13-methyl-N,N-di(tetradecyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C43H89N/c1-5-7-9-11-13-15-17-20-24-28-32-36-40-44(41-37-33-29-25-21-18-16-14-12-10-8-6-2)42-38-34-30-26-22-19-23-27-31-35-39-43(3)4/h43H,5-42H2,1-4H3
InChIKeyWZQVJHRWRRBJNS-UHFFFAOYSA-N
MW620.19 g/mol
LogP15.64
Rot. Bonds39

About 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine

13-methyl-N,N-di(tetradecyl)tetradecan-1-amine (PubChem CID 139722739) has the molecular formula C43H89N and a molecular weight of 620.19 g/mol. Its IUPAC name is 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine.

Molecular Properties

Compound Name13-methyl-N,N-di(tetradecyl)tetradecan-1-amine
PubChem CID139722739
Molecular FormulaC43H89N
Molecular Weight620.19 g/mol
Exact Mass619.70
IUPAC Name13-methyl-N,N-di(tetradecyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C43H89N/c1-5-7-9-11-13-15-17-20-24-28-32-36-40-44(41-37-33-29-25-21-18-16-14-12-10-8-6-2)42-38-34-30-26-22-19-23-27-31-35-39-43(3)4/h43H,5-42H2,1-4H3
InChIKeyWZQVJHRWRRBJNS-UHFFFAOYSA-N
XLogP15.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.19
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
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-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

Frequently Asked Questions

What is the IUPAC name of 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine?
The IUPAC name of 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine (CID 139722739) is 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine.
What is the SMILES notation for 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine?
The canonical SMILES for 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCC(C)C.
What is the InChIKey of 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine?
The InChIKey is WZQVJHRWRRBJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H89N/c1-5-7-9-11-13-15-17-20-24-28-32-36-40-44(41-37-33-29-25-21-18-16-14-12-10-8-6-2)42-38-34-30-26-22-19-23-27-31-35-39-43(3)4/h43H,5-42H2,1-4H3.
What are the key properties of 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine?
13-methyl-N,N-di(tetradecyl)tetradecan-1-amine has a molecular weight of 620.19 g/mol, XLogP of 15.64, 39 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-N,N-di(tetradecyl)tetradecan-1-amine is sourced from PubChem (CID 139722739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).