(3S)-2-methylhept-6-en-3-amine

C8H17N — CID 130038442

IUPAC(3S)-2-methylhept-6-en-3-amine
SMILESC=CCC[C@H](N)C(C)C
InChIInChI=1S/C8H17N/c1-4-5-6-8(9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m0/s1
InChIKeyGPMJCSSJMGQHPS-QMMMGPOBSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds4

About (3S)-2-methylhept-6-en-3-amine

(3S)-2-methylhept-6-en-3-amine (PubChem CID 130038442) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S)-2-methylhept-6-en-3-amine.

Molecular Properties

Compound Name(3S)-2-methylhept-6-en-3-amine
PubChem CID130038442
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S)-2-methylhept-6-en-3-amine
SMILESC=CCC[C@H](N)C(C)C
InChIInChI=1S/C8H17N/c1-4-5-6-8(9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m0/s1
InChIKeyGPMJCSSJMGQHPS-QMMMGPOBSA-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-aminehydrochloride
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
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
(5S)-pentadeca-1,8,9-trien-5-amine
CID 10889473

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylhept-6-en-3-amine?
The IUPAC name of (3S)-2-methylhept-6-en-3-amine (CID 130038442) is (3S)-2-methylhept-6-en-3-amine.
What is the SMILES notation for (3S)-2-methylhept-6-en-3-amine?
The canonical SMILES for (3S)-2-methylhept-6-en-3-amine is C=CCC[C@H](N)C(C)C.
What is the InChIKey of (3S)-2-methylhept-6-en-3-amine?
The InChIKey is GPMJCSSJMGQHPS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-8(9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m0/s1.
What are the key properties of (3S)-2-methylhept-6-en-3-amine?
(3S)-2-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 (3S)-2-methylhept-6-en-3-amine is sourced from PubChem (CID 130038442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).