3-prop-2-enylhex-5-en-1-amine;hydrochloride

C9H18ClN — CID 87789955

IUPAC3-prop-2-enylhex-5-en-1-amine;hydrochloride
SMILESC=CCC(CC=C)CCN.Cl
InChIInChI=1S/C9H17N.ClH/c1-3-5-9(6-4-2)7-8-10;/h3-4,9H,1-2,5-8,10H2;1H
InChIKeyJQAPUYFHQWRLJO-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.53
Rot. Bonds6

About 3-prop-2-enylhex-5-en-1-amine;hydrochloride

3-prop-2-enylhex-5-en-1-amine;hydrochloride (PubChem CID 87789955) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 3-prop-2-enylhex-5-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-prop-2-enylhex-5-en-1-amine;hydrochloride
PubChem CID87789955
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name3-prop-2-enylhex-5-en-1-amine;hydrochloride
SMILESC=CCC(CC=C)CCN.Cl
InChIInChI=1S/C9H17N.ClH/c1-3-5-9(6-4-2)7-8-10;/h3-4,9H,1-2,5-8,10H2;1H
InChIKeyJQAPUYFHQWRLJO-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.53
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-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
2-prop-2-enylpropane-1,3-diamine
CID 19088326
2-prop-2-enylhexane-1,6-diamine
CID 89126683
3-N,3-N-dimethylhex-5-ene-1,3-diamine
CID 87074898
5-prop-2-enylnona-1,8-diene
CID 54537373
4-prop-2-enylpentadec-1-ene
CID 54427529
5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828
2-prop-2-enylpent-4-en-1-ol
CID 14895210
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
CID 173358524
ethene;4-ethylhex-1-ene
CID 159399050
pent-4-ene-1,2-diamine;silane
CID 174886622
2-but-3-enylhex-5-en-1-amine
CID 130382667

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylhex-5-en-1-amine;hydrochloride?
The IUPAC name of 3-prop-2-enylhex-5-en-1-amine;hydrochloride (CID 87789955) is 3-prop-2-enylhex-5-en-1-amine;hydrochloride.
What is the SMILES notation for 3-prop-2-enylhex-5-en-1-amine;hydrochloride?
The canonical SMILES for 3-prop-2-enylhex-5-en-1-amine;hydrochloride is C=CCC(CC=C)CCN.Cl.
What is the InChIKey of 3-prop-2-enylhex-5-en-1-amine;hydrochloride?
The InChIKey is JQAPUYFHQWRLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-3-5-9(6-4-2)7-8-10;/h3-4,9H,1-2,5-8,10H2;1H.
What are the key properties of 3-prop-2-enylhex-5-en-1-amine;hydrochloride?
3-prop-2-enylhex-5-en-1-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylhex-5-en-1-amine;hydrochloride is sourced from PubChem (CID 87789955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).