N-dodecyldodecan-1-amine

C24H51N — CID 18157

IUPACN-dodecyldodecan-1-amine
SMILESCCCCCCCCCCCCNCCCCCCCCCCCC
InChIInChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChIKeyMJCJUDJQDGGKOX-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.42
Rot. Bonds22

About N-dodecyldodecan-1-amine

N-dodecyldodecan-1-amine (PubChem CID 18157) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is N-dodecyldodecan-1-amine.

Molecular Properties

Compound NameN-dodecyldodecan-1-amine
PubChem CID18157
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC NameN-dodecyldodecan-1-amine
SMILESCCCCCCCCCCCCNCCCCCCCCCCCC
InChIInChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3
InChIKeyMJCJUDJQDGGKOX-UHFFFAOYSA-N
XLogP8.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.42
H-Bond Donors ≤ 51
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-dodecyldodecan-1-amine?
The IUPAC name of N-dodecyldodecan-1-amine (CID 18157) is N-dodecyldodecan-1-amine.
What is the SMILES notation for N-dodecyldodecan-1-amine?
The canonical SMILES for N-dodecyldodecan-1-amine is CCCCCCCCCCCCNCCCCCCCCCCCC.
What is the InChIKey of N-dodecyldodecan-1-amine?
The InChIKey is MJCJUDJQDGGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3.
What are the key properties of N-dodecyldodecan-1-amine?
N-dodecyldodecan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.42, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyldodecan-1-amine is sourced from PubChem (CID 18157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).