10-methylidenedodecan-1-amine

C13H27N — CID 87112392

IUPAC10-methylidenedodecan-1-amine
SMILESC=C(CC)CCCCCCCCCN
InChIInChI=1S/C13H27N/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h2-12,14H2,1H3
InChIKeyZOMSLQYVHJLPKV-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.03
Rot. Bonds10

About 10-methylidenedodecan-1-amine

10-methylidenedodecan-1-amine (PubChem CID 87112392) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 10-methylidenedodecan-1-amine.

Molecular Properties

Compound Name10-methylidenedodecan-1-amine
PubChem CID87112392
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name10-methylidenedodecan-1-amine
SMILESC=C(CC)CCCCCCCCCN
InChIInChI=1S/C13H27N/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h2-12,14H2,1H3
InChIKeyZOMSLQYVHJLPKV-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methylidenedodecan-1-amine?
The IUPAC name of 10-methylidenedodecan-1-amine (CID 87112392) is 10-methylidenedodecan-1-amine.
What is the SMILES notation for 10-methylidenedodecan-1-amine?
The canonical SMILES for 10-methylidenedodecan-1-amine is C=C(CC)CCCCCCCCCN.
What is the InChIKey of 10-methylidenedodecan-1-amine?
The InChIKey is ZOMSLQYVHJLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h2-12,14H2,1H3.
What are the key properties of 10-methylidenedodecan-1-amine?
10-methylidenedodecan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidenedodecan-1-amine is sourced from PubChem (CID 87112392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).