(E,3S)-3-amino-5-methylhept-5-en-2-ol

C8H17NO — CID 143986675

IUPAC(E,3S)-3-amino-5-methylhept-5-en-2-ol
SMILESC/C=C(\C)C[C@H](N)C(C)O
InChIInChI=1S/C8H17NO/c1-4-6(2)5-8(9)7(3)10/h4,7-8,10H,5,9H2,1-3H3/b6-4+/t7?,8-/m0/s1
InChIKeySPBQUHKENJHVNJ-WXUBYYRTSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds3

About (E,3S)-3-amino-5-methylhept-5-en-2-ol

(E,3S)-3-amino-5-methylhept-5-en-2-ol (PubChem CID 143986675) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E,3S)-3-amino-5-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(E,3S)-3-amino-5-methylhept-5-en-2-ol
PubChem CID143986675
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E,3S)-3-amino-5-methylhept-5-en-2-ol
SMILESC/C=C(\C)C[C@H](N)C(C)O
InChIInChI=1S/C8H17NO/c1-4-6(2)5-8(9)7(3)10/h4,7-8,10H,5,9H2,1-3H3/b6-4+/t7?,8-/m0/s1
InChIKeySPBQUHKENJHVNJ-WXUBYYRTSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,3S)-3-amino-5-methylhept-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Clavaminol B
CID 44424869
Xetoaminol A
CID 14756402
Halaminol C
CID 11775924
Crucigasterin 277
CID 42608365
(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
CID 71770472
(2S,3S,5E,9Z)-2-aminohexadeca-5,9-dien-3-ol
CID 71770473
(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
CID 46937367
(2S,3S,5E,9Z,12Z)-2-aminooctadeca-5,9,12-trien-3-ol
CID 46937368
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15-tetraen-3-ol
CID 23427562
(E,2S,3R)-2-Aminotetradec-5-en-3-ol
CID 134715060
Obscuraminol A
CID 10062076
6-Octen-1-ol, 3-amino-7-methyl-, (3S)-
CID 10986507

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-amino-5-methylhept-5-en-2-ol?
The IUPAC name of (E,3S)-3-amino-5-methylhept-5-en-2-ol (CID 143986675) is (E,3S)-3-amino-5-methylhept-5-en-2-ol.
What is the SMILES notation for (E,3S)-3-amino-5-methylhept-5-en-2-ol?
The canonical SMILES for (E,3S)-3-amino-5-methylhept-5-en-2-ol is C/C=C(\C)C[C@H](N)C(C)O.
What is the InChIKey of (E,3S)-3-amino-5-methylhept-5-en-2-ol?
The InChIKey is SPBQUHKENJHVNJ-WXUBYYRTSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6(2)5-8(9)7(3)10/h4,7-8,10H,5,9H2,1-3H3/b6-4+/t7?,8-/m0/s1.
What are the key properties of (E,3S)-3-amino-5-methylhept-5-en-2-ol?
(E,3S)-3-amino-5-methylhept-5-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-amino-5-methylhept-5-en-2-ol is sourced from PubChem (CID 143986675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).