4,5-dimethylhept-5-en-1-amine

C9H19N — CID 123386670

IUPAC4,5-dimethylhept-5-en-1-amine
SMILESCC=C(C)C(C)CCCN
InChIInChI=1S/C9H19N/c1-4-8(2)9(3)6-5-7-10/h4,9H,5-7,10H2,1-3H3
InChIKeyXIORJJFDLPNNEK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds4

About 4,5-dimethylhept-5-en-1-amine

4,5-dimethylhept-5-en-1-amine (PubChem CID 123386670) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4,5-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name4,5-dimethylhept-5-en-1-amine
PubChem CID123386670
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4,5-dimethylhept-5-en-1-amine
SMILESCC=C(C)C(C)CCCN
InChIInChI=1S/C9H19N/c1-4-8(2)9(3)6-5-7-10/h4,9H,5-7,10H2,1-3H3
InChIKeyXIORJJFDLPNNEK-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
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

3,7-Dimethyloct-6-en-1-amine
CID 3016807
1-(Cyclohex-3-en-1-yl)methanamine
CID 13512621
2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
{[2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]methyl}amine hydrochloride
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2-(Cyclopent-2-en-1-yl)ethan-1-amine
CID 19703421
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
1-((1S)-cyclohex-3-en-1-yl)methanamine
CID 28607738
Cambridge id 5619556
CID 52993159
2-[(1S)-cyclohex-3-en-1-yl]ethan-1-amine
CID 92981480
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(Cyclohept-4-en-1-yl)methanamine hydrochloride
CID 132300767

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhept-5-en-1-amine?
The IUPAC name of 4,5-dimethylhept-5-en-1-amine (CID 123386670) is 4,5-dimethylhept-5-en-1-amine.
What is the SMILES notation for 4,5-dimethylhept-5-en-1-amine?
The canonical SMILES for 4,5-dimethylhept-5-en-1-amine is CC=C(C)C(C)CCCN.
What is the InChIKey of 4,5-dimethylhept-5-en-1-amine?
The InChIKey is XIORJJFDLPNNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8(2)9(3)6-5-7-10/h4,9H,5-7,10H2,1-3H3.
What are the key properties of 4,5-dimethylhept-5-en-1-amine?
4,5-dimethylhept-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhept-5-en-1-amine is sourced from PubChem (CID 123386670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).