13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine

C44H91N — CID 139723818

IUPAC13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCC(C)C)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C44H91N/c1-6-7-8-9-10-11-12-15-20-25-30-35-40-45(41-36-31-26-21-16-13-18-23-28-33-38-43(2)3)42-37-32-27-22-17-14-19-24-29-34-39-44(4)5/h43-44H,6-42H2,1-5H3
InChIKeyIPKPDMRTNSDJDJ-UHFFFAOYSA-N
MW634.22 g/mol
LogP15.88
Rot. Bonds39

About 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine

13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine (PubChem CID 139723818) has the molecular formula C44H91N and a molecular weight of 634.22 g/mol. Its IUPAC name is 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine.

Molecular Properties

Compound Name13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
PubChem CID139723818
Molecular FormulaC44H91N
Molecular Weight634.22 g/mol
Exact Mass633.72
IUPAC Name13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCC(C)C)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C44H91N/c1-6-7-8-9-10-11-12-15-20-25-30-35-40-45(41-36-31-26-21-16-13-18-23-28-33-38-43(2)3)42-37-32-27-22-17-14-19-24-29-34-39-44(4)5/h43-44H,6-42H2,1-5H3
InChIKeyIPKPDMRTNSDJDJ-UHFFFAOYSA-N
XLogP15.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.22
LogP ≤ 515.88
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
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-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine?
The IUPAC name of 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine (CID 139723818) is 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine.
What is the SMILES notation for 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine?
The canonical SMILES for 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine is CCCCCCCCCCCCCCN(CCCCCCCCCCCCC(C)C)CCCCCCCCCCCCC(C)C.
What is the InChIKey of 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine?
The InChIKey is IPKPDMRTNSDJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H91N/c1-6-7-8-9-10-11-12-15-20-25-30-35-40-45(41-36-31-26-21-16-13-18-23-28-33-38-43(2)3)42-37-32-27-22-17-14-19-24-29-34-39-44(4)5/h43-44H,6-42H2,1-5H3.
What are the key properties of 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine?
13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine has a molecular weight of 634.22 g/mol, XLogP of 15.88, 39 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine is sourced from PubChem (CID 139723818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).