(4S)-4-amino-6-methylhept-1-en-3-ol

C8H17NO — CID 14033272

IUPAC(4S)-4-amino-6-methylhept-1-en-3-ol
SMILESC=CC(O)[C@@H](N)CC(C)C
InChIInChI=1S/C8H17NO/c1-4-8(10)7(9)5-6(2)3/h4,6-8,10H,1,5,9H2,2-3H3/t7-,8?/m0/s1
InChIKeyZLIBGPHNVLZNQS-JAMMHHFISA-N
MW143.23 g/mol
LogP0.91
Rot. Bonds4

About (4S)-4-amino-6-methylhept-1-en-3-ol

(4S)-4-amino-6-methylhept-1-en-3-ol (PubChem CID 14033272) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-4-amino-6-methylhept-1-en-3-ol.

Molecular Properties

Compound Name(4S)-4-amino-6-methylhept-1-en-3-ol
PubChem CID14033272
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-4-amino-6-methylhept-1-en-3-ol
SMILESC=CC(O)[C@@H](N)CC(C)C
InChIInChI=1S/C8H17NO/c1-4-8(10)7(9)5-6(2)3/h4,6-8,10H,1,5,9H2,2-3H3/t7-,8?/m0/s1
InChIKeyZLIBGPHNVLZNQS-JAMMHHFISA-N
XLogP0.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Amino-7-methyloct-1-en-4-ol
CID 13949650
4-Amino-6-methylhept-1-en-3-ol
CID 14033271
4-Amino-5-cyclohexylpent-1-en-3-ol
CID 14478713
(3S,4S)-3-Hydroxy-4-amino-5-cyclohexyl-1-pentene
CID 14478714
(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
CID 18642362
5-Amino-7-methyloct-1-en-4-ol;hydrochloride
CID 20044143
5-Amino-3,3,7-trimethyloct-1-en-4-ol;hydrochloride
CID 20044172
5-Amino-3,3,7-trimethyloct-1-en-4-ol
CID 20044173
[(3S,4S)-4-hydroxy-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-3-yl]azanium
CID 58743312
(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol
CID 58743313
[(3S,4S,5S)-5-hydroxy-3-methylicosa-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecaen-4-yl]azanium
CID 58743321
(3S,4S,5S)-4-amino-3-methylicosa-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecaen-5-ol
CID 58743322

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-6-methylhept-1-en-3-ol?
The IUPAC name of (4S)-4-amino-6-methylhept-1-en-3-ol (CID 14033272) is (4S)-4-amino-6-methylhept-1-en-3-ol.
What is the SMILES notation for (4S)-4-amino-6-methylhept-1-en-3-ol?
The canonical SMILES for (4S)-4-amino-6-methylhept-1-en-3-ol is C=CC(O)[C@@H](N)CC(C)C.
What is the InChIKey of (4S)-4-amino-6-methylhept-1-en-3-ol?
The InChIKey is ZLIBGPHNVLZNQS-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(10)7(9)5-6(2)3/h4,6-8,10H,1,5,9H2,2-3H3/t7-,8?/m0/s1.
What are the key properties of (4S)-4-amino-6-methylhept-1-en-3-ol?
(4S)-4-amino-6-methylhept-1-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-6-methylhept-1-en-3-ol is sourced from PubChem (CID 14033272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).