heptadec-1-en-1-amine

C17H35N — CID 72745219

IUPACheptadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCC=CN
InChIInChI=1S/C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h16-17H,2-15,18H2,1H3
InChIKeyXQOBMFQWXROKFJ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.94
Rot. Bonds14

About heptadec-1-en-1-amine

heptadec-1-en-1-amine (PubChem CID 72745219) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is heptadec-1-en-1-amine.

Molecular Properties

Compound Nameheptadec-1-en-1-amine
PubChem CID72745219
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Nameheptadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCC=CN
InChIInChI=1S/C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h16-17H,2-15,18H2,1H3
InChIKeyXQOBMFQWXROKFJ-UHFFFAOYSA-N
XLogP5.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.94
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 heptadec-1-en-1-amine?
The IUPAC name of heptadec-1-en-1-amine (CID 72745219) is heptadec-1-en-1-amine.
What is the SMILES notation for heptadec-1-en-1-amine?
The canonical SMILES for heptadec-1-en-1-amine is CCCCCCCCCCCCCCCC=CN.
What is the InChIKey of heptadec-1-en-1-amine?
The InChIKey is XQOBMFQWXROKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h16-17H,2-15,18H2,1H3.
What are the key properties of heptadec-1-en-1-amine?
heptadec-1-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.94, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-1-en-1-amine is sourced from PubChem (CID 72745219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).