4-prop-2-enylhept-6-en-1-amine;hydrochloride

C10H20ClN — CID 87790253

IUPAC4-prop-2-enylhept-6-en-1-amine;hydrochloride
SMILESC=CCC(CC=C)CCCN.Cl
InChIInChI=1S/C10H19N.ClH/c1-3-6-10(7-4-2)8-5-9-11;/h3-4,10H,1-2,5-9,11H2;1H
InChIKeyFXHATHHHRBEHQA-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.92
Rot. Bonds7

About 4-prop-2-enylhept-6-en-1-amine;hydrochloride

4-prop-2-enylhept-6-en-1-amine;hydrochloride (PubChem CID 87790253) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 4-prop-2-enylhept-6-en-1-amine;hydrochloride.

Molecular Properties

Compound Name4-prop-2-enylhept-6-en-1-amine;hydrochloride
PubChem CID87790253
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name4-prop-2-enylhept-6-en-1-amine;hydrochloride
SMILESC=CCC(CC=C)CCCN.Cl
InChIInChI=1S/C10H19N.ClH/c1-3-6-10(7-4-2)8-5-9-11;/h3-4,10H,1-2,5-9,11H2;1H
InChIKeyFXHATHHHRBEHQA-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.92
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

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CID 87789955
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CID 19088326
4-prop-2-enylpentadec-1-ene
CID 54427529
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
CID 173358524
17-prop-2-enyltetratriacontane
CID 173452630
(4S)-4-ethyloct-1-ene
CID 129373406
dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
CID 176548864
5-prop-2-enylnona-1,8-diene
CID 54537373
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
1-N'-(3-aminopropyl)but-3-ene-1,1-diamine
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7-prop-2-enyldodec-4-ene
CID 173342323

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylhept-6-en-1-amine;hydrochloride?
The IUPAC name of 4-prop-2-enylhept-6-en-1-amine;hydrochloride (CID 87790253) is 4-prop-2-enylhept-6-en-1-amine;hydrochloride.
What is the SMILES notation for 4-prop-2-enylhept-6-en-1-amine;hydrochloride?
The canonical SMILES for 4-prop-2-enylhept-6-en-1-amine;hydrochloride is C=CCC(CC=C)CCCN.Cl.
What is the InChIKey of 4-prop-2-enylhept-6-en-1-amine;hydrochloride?
The InChIKey is FXHATHHHRBEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-3-6-10(7-4-2)8-5-9-11;/h3-4,10H,1-2,5-9,11H2;1H.
What are the key properties of 4-prop-2-enylhept-6-en-1-amine;hydrochloride?
4-prop-2-enylhept-6-en-1-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylhept-6-en-1-amine;hydrochloride is sourced from PubChem (CID 87790253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).