heptadec-16-en-1-amine

C17H35N — CID 15590771

IUPACheptadec-16-en-1-amine
SMILESC=CCCCCCCCCCCCCCCCN
InChIInChI=1S/C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2H,1,3-18H2
InChIKeyZOQFUVJHZVBEMP-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.59
Rot. Bonds15

About heptadec-16-en-1-amine

heptadec-16-en-1-amine (PubChem CID 15590771) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is heptadec-16-en-1-amine.

Molecular Properties

Compound Nameheptadec-16-en-1-amine
PubChem CID15590771
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Nameheptadec-16-en-1-amine
SMILESC=CCCCCCCCCCCCCCCCN
InChIInChI=1S/C17H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2H,1,3-18H2
InChIKeyZOQFUVJHZVBEMP-UHFFFAOYSA-N
XLogP5.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.59
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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Related Compounds

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(5E)-deca-5,9-dien-1-amine
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CID 57001912
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Frequently Asked Questions

What is the IUPAC name of heptadec-16-en-1-amine?
The IUPAC name of heptadec-16-en-1-amine (CID 15590771) is heptadec-16-en-1-amine.
What is the SMILES notation for heptadec-16-en-1-amine?
The canonical SMILES for heptadec-16-en-1-amine is C=CCCCCCCCCCCCCCCCN.
What is the InChIKey of heptadec-16-en-1-amine?
The InChIKey is ZOQFUVJHZVBEMP-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/h2H,1,3-18H2.
What are the key properties of heptadec-16-en-1-amine?
heptadec-16-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.59, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-16-en-1-amine is sourced from PubChem (CID 15590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).