(E)-hept-2-en-1-amine

C7H15N — CID 10779517

IUPAC(E)-hept-2-en-1-amine
SMILESCCCC/C=C/CN
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h5-6H,2-4,7-8H2,1H3/b6-5+
InChIKeyCRQJAFQPBVGVHL-AATRIKPKSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds4

About (E)-hept-2-en-1-amine

(E)-hept-2-en-1-amine (PubChem CID 10779517) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-hept-2-en-1-amine.

Molecular Properties

Compound Name(E)-hept-2-en-1-amine
PubChem CID10779517
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-hept-2-en-1-amine
SMILESCCCC/C=C/CN
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h5-6H,2-4,7-8H2,1H3/b6-5+
InChIKeyCRQJAFQPBVGVHL-AATRIKPKSA-N
XLogP1.69
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 ≤ 51.69
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

undec-2-en-1-amine;hydrochloride
CID 173326659
dec-5-ene;trihydrobromide
CID 175802238
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
butanedioic acid;dec-2-en-1-amine
CID 175176205
heptadeca-5,9-diene
CID 123203573
(E)-non-3-ene
CID 5364445
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
(5E,9E)-nonacosa-5,9-diene
CID 56936191
heptadeca-3,6,12-triene
CID 54220025

Frequently Asked Questions

What is the IUPAC name of (E)-hept-2-en-1-amine?
The IUPAC name of (E)-hept-2-en-1-amine (CID 10779517) is (E)-hept-2-en-1-amine.
What is the SMILES notation for (E)-hept-2-en-1-amine?
The canonical SMILES for (E)-hept-2-en-1-amine is CCCC/C=C/CN.
What is the InChIKey of (E)-hept-2-en-1-amine?
The InChIKey is CRQJAFQPBVGVHL-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h5-6H,2-4,7-8H2,1H3/b6-5+.
What are the key properties of (E)-hept-2-en-1-amine?
(E)-hept-2-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-2-en-1-amine is sourced from PubChem (CID 10779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).