5-methylhept-6-en-3-amine

C8H17N — CID 58467826

IUPAC5-methylhept-6-en-3-amine
SMILESC=CC(C)CC(N)CC
InChIInChI=1S/C8H17N/c1-4-7(3)6-8(9)5-2/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyMROVGJCVYCSLQL-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds4

About 5-methylhept-6-en-3-amine

5-methylhept-6-en-3-amine (PubChem CID 58467826) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 5-methylhept-6-en-3-amine.

Molecular Properties

Compound Name5-methylhept-6-en-3-amine
PubChem CID58467826
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name5-methylhept-6-en-3-amine
SMILESC=CC(C)CC(N)CC
InChIInChI=1S/C8H17N/c1-4-7(3)6-8(9)5-2/h4,7-8H,1,5-6,9H2,2-3H3
InChIKeyMROVGJCVYCSLQL-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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

1-Cyclopropylbut-3-en-1-amine hydrochloride
CID 75598870
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
(4R)-4-ethylhex-5-en-1-amine
CID 24767553
2-Methylhept-6-en-3-amine
CID 55284076
Oct-7-en-4-amine
CID 55289415
(3S)-2-methylhept-6-en-3-amine
CID 130038442
Oct-1-en-4-amine
CID 10964513
2-Ethenylhexan-1-amine
CID 13756234
(2S)-3-(3-fluoropropyl)hex-5-en-2-amine
CID 89952050
Ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
CID 163278944
7,7,7-Trifluoro-3-methylhept-1-en-4-amine
CID 163278945
(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine
CID 174025767

Frequently Asked Questions

What is the IUPAC name of 5-methylhept-6-en-3-amine?
The IUPAC name of 5-methylhept-6-en-3-amine (CID 58467826) is 5-methylhept-6-en-3-amine.
What is the SMILES notation for 5-methylhept-6-en-3-amine?
The canonical SMILES for 5-methylhept-6-en-3-amine is C=CC(C)CC(N)CC.
What is the InChIKey of 5-methylhept-6-en-3-amine?
The InChIKey is MROVGJCVYCSLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7(3)6-8(9)5-2/h4,7-8H,1,5-6,9H2,2-3H3.
What are the key properties of 5-methylhept-6-en-3-amine?
5-methylhept-6-en-3-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhept-6-en-3-amine is sourced from PubChem (CID 58467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).