N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine

C40H81N — CID 166871042

IUPACN-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine
SMILESC=C(CCC(C)CCCCCC)N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C40H81N/c1-6-9-12-15-17-19-21-23-25-27-29-32-37-41(40(5)36-35-39(4)34-31-14-11-8-3)38-33-30-28-26-24-22-20-18-16-13-10-7-2/h39H,5-38H2,1-4H3
InChIKeyKFHQHHSRJVYEGU-UHFFFAOYSA-N
MW576.10 g/mol
LogP14.59
Rot. Bonds35

About N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine

N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine (PubChem CID 166871042) has the molecular formula C40H81N and a molecular weight of 576.10 g/mol. Its IUPAC name is N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine.

Molecular Properties

Compound NameN-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine
PubChem CID166871042
Molecular FormulaC40H81N
Molecular Weight576.10 g/mol
Exact Mass575.64
IUPAC NameN-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine
SMILESC=C(CCC(C)CCCCCC)N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C40H81N/c1-6-9-12-15-17-19-21-23-25-27-29-32-37-41(40(5)36-35-39(4)34-31-14-11-8-3)38-33-30-28-26-24-22-20-18-16-13-10-7-2/h39H,5-38H2,1-4H3
InChIKeyKFHQHHSRJVYEGU-UHFFFAOYSA-N
XLogP14.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.10
LogP ≤ 514.59
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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Frequently Asked Questions

What is the IUPAC name of N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine?
The IUPAC name of N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine (CID 166871042) is N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine.
What is the SMILES notation for N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine?
The canonical SMILES for N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine is C=C(CCC(C)CCCCCC)N(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine?
The InChIKey is KFHQHHSRJVYEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81N/c1-6-9-12-15-17-19-21-23-25-27-29-32-37-41(40(5)36-35-39(4)34-31-14-11-8-3)38-33-30-28-26-24-22-20-18-16-13-10-7-2/h39H,5-38H2,1-4H3.
What are the key properties of N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine?
N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine has a molecular weight of 576.10 g/mol, XLogP of 14.59, 35 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine is sourced from PubChem (CID 166871042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).