N,N-didecyldecan-1-amine

C30H63N — CID 14049

IUPACN,N-didecyldecan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyCOFKFSSWMQHKMD-UHFFFAOYSA-N
MW437.84 g/mol
LogP10.71
Rot. Bonds27

About N,N-didecyldecan-1-amine

N,N-didecyldecan-1-amine (PubChem CID 14049) has the molecular formula C30H63N and a molecular weight of 437.84 g/mol. Its IUPAC name is N,N-didecyldecan-1-amine.

Molecular Properties

Compound NameN,N-didecyldecan-1-amine
PubChem CID14049
Molecular FormulaC30H63N
Molecular Weight437.84 g/mol
Exact Mass437.50
IUPAC NameN,N-didecyldecan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyCOFKFSSWMQHKMD-UHFFFAOYSA-N
XLogP10.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 510.71
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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Frequently Asked Questions

What is the IUPAC name of N,N-didecyldecan-1-amine?
The IUPAC name of N,N-didecyldecan-1-amine (CID 14049) is N,N-didecyldecan-1-amine.
What is the SMILES notation for N,N-didecyldecan-1-amine?
The canonical SMILES for N,N-didecyldecan-1-amine is CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of N,N-didecyldecan-1-amine?
The InChIKey is COFKFSSWMQHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3.
What are the key properties of N,N-didecyldecan-1-amine?
N,N-didecyldecan-1-amine has a molecular weight of 437.84 g/mol, XLogP of 10.71, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyldecan-1-amine is sourced from PubChem (CID 14049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).