hept-6-en-3-amine

C7H15N — CID 55290742

IUPAChept-6-en-3-amine
SMILESC=CCCC(N)CC
InChIInChI=1S/C7H15N/c1-3-5-6-7(8)4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyMXWQMPMMDABUNM-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds4

About hept-6-en-3-amine

hept-6-en-3-amine (PubChem CID 55290742) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is hept-6-en-3-amine.

Molecular Properties

Compound Namehept-6-en-3-amine
PubChem CID55290742
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Namehept-6-en-3-amine
SMILESC=CCCC(N)CC
InChIInChI=1S/C7H15N/c1-3-5-6-7(8)4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyMXWQMPMMDABUNM-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Pentenylamine, N,1-dimethyl-
CID 3051131
5-Hexen-2-amine
CID 202050
Hept-6-en-1-amine
CID 12878168
Hept-6-en-2-amine
CID 54516059
5-Methylhex-5-en-2-amine
CID 12463571
Hex-5-ene-1,2-diamine
CID 15904928
Pent-4-en-2-amine hydrochloride
CID 18185429
Hepta-1,6-dien-4-amine hydrochloride
CID 22138208
Hex-5-en-2-amine hydrochloride
CID 85972458
Pent-4-en-2-amine
CID 6713451
Cyclohex-3-en-1-amine
CID 13040867
(E)-hept-5-en-2-amine
CID 11286454

Frequently Asked Questions

What is the IUPAC name of hept-6-en-3-amine?
The IUPAC name of hept-6-en-3-amine (CID 55290742) is hept-6-en-3-amine.
What is the SMILES notation for hept-6-en-3-amine?
The canonical SMILES for hept-6-en-3-amine is C=CCCC(N)CC.
What is the InChIKey of hept-6-en-3-amine?
The InChIKey is MXWQMPMMDABUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-5-6-7(8)4-2/h3,7H,1,4-6,8H2,2H3.
What are the key properties of hept-6-en-3-amine?
hept-6-en-3-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 hept-6-en-3-amine is sourced from PubChem (CID 55290742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).