5-ethylhept-4-en-3-amine;hydrochloride

C9H20ClN — CID 173326554

IUPAC5-ethylhept-4-en-3-amine;hydrochloride
SMILESCCC(=CC(N)CC)CC.Cl
InChIInChI=1S/C9H19N.ClH/c1-4-8(5-2)7-9(10)6-3;/h7,9H,4-6,10H2,1-3H3;1H
InChIKeyZBDONSMEPFFYDX-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.89
Rot. Bonds4

About 5-ethylhept-4-en-3-amine;hydrochloride

5-ethylhept-4-en-3-amine;hydrochloride (PubChem CID 173326554) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 5-ethylhept-4-en-3-amine;hydrochloride.

Molecular Properties

Compound Name5-ethylhept-4-en-3-amine;hydrochloride
PubChem CID173326554
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name5-ethylhept-4-en-3-amine;hydrochloride
SMILESCCC(=CC(N)CC)CC.Cl
InChIInChI=1S/C9H19N.ClH/c1-4-8(5-2)7-9(10)6-3;/h7,9H,4-6,10H2,1-3H3;1H
InChIKeyZBDONSMEPFFYDX-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.89
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-amino-2-methylhex-2-enamide
CID 73453875
1-aminopropan-1-ol;hydrochloride
CID 18547293
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
2,4-diethylhex-2-en-1-ol
CID 79335318
(E)-2-ethyl-5,5-difluoropent-2-ene-1,4-diamine
CID 88699192
1-fluorohept-3-ene-2,5-diamine
CID 54476360
(3Z)-5-aminohepta-1,3-dien-2-ol
CID 147712752
5-ethyl-3-methylhept-4-enal
CID 164909436
2-ethyl-4-methylpent-2-en-1-ol
CID 79323762
3-ethylpent-2-en-1-amine
CID 63969670
1-fluoropropan-1-amine;hydrochloride
CID 173116737
3-ethyl-5,6-dimethyloct-2-ene
CID 123995420

Frequently Asked Questions

What is the IUPAC name of 5-ethylhept-4-en-3-amine;hydrochloride?
The IUPAC name of 5-ethylhept-4-en-3-amine;hydrochloride (CID 173326554) is 5-ethylhept-4-en-3-amine;hydrochloride.
What is the SMILES notation for 5-ethylhept-4-en-3-amine;hydrochloride?
The canonical SMILES for 5-ethylhept-4-en-3-amine;hydrochloride is CCC(=CC(N)CC)CC.Cl.
What is the InChIKey of 5-ethylhept-4-en-3-amine;hydrochloride?
The InChIKey is ZBDONSMEPFFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-4-8(5-2)7-9(10)6-3;/h7,9H,4-6,10H2,1-3H3;1H.
What are the key properties of 5-ethylhept-4-en-3-amine;hydrochloride?
5-ethylhept-4-en-3-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylhept-4-en-3-amine;hydrochloride is sourced from PubChem (CID 173326554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).