(E)-hept-1-en-1-amine

C7H15N — CID 18469478

IUPAC(E)-hept-1-en-1-amine
SMILESCCCCC/C=C/N
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3/b7-6+
InChIKeyCTIVSZMFFGZVMI-VOTSOKGWSA-N
MW113.20 g/mol
LogP2.04
Rot. Bonds4

About (E)-hept-1-en-1-amine

(E)-hept-1-en-1-amine (PubChem CID 18469478) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-hept-1-en-1-amine.

Molecular Properties

Compound Name(E)-hept-1-en-1-amine
PubChem CID18469478
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-hept-1-en-1-amine
SMILESCCCCC/C=C/N
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3/b7-6+
InChIKeyCTIVSZMFFGZVMI-VOTSOKGWSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.04
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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Related Compounds

Penta-1,4-dien-1-amine
CID 111870
Butenylamine
CID 12415240
Hexenylamin
CID 20202400
Pentenylamine
CID 20339198
Decenyl amine
CID 21420709
Butenylamine hydrochloride
CID 23207044
Nonenamine
CID 53653245
But-1-en-1-amine
CID 53775721
Aminopentene
CID 53815724
Aminohexene
CID 54286016
Aminoheptene
CID 73447107
N-methylhexeneamine
CID 86641378

Frequently Asked Questions

What is the IUPAC name of (E)-hept-1-en-1-amine?
The IUPAC name of (E)-hept-1-en-1-amine (CID 18469478) is (E)-hept-1-en-1-amine.
What is the SMILES notation for (E)-hept-1-en-1-amine?
The canonical SMILES for (E)-hept-1-en-1-amine is CCCCC/C=C/N.
What is the InChIKey of (E)-hept-1-en-1-amine?
The InChIKey is CTIVSZMFFGZVMI-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3/b7-6+.
What are the key properties of (E)-hept-1-en-1-amine?
(E)-hept-1-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-1-en-1-amine is sourced from PubChem (CID 18469478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).