(3S)-3-amino-5-methylhex-5-en-2-ol

C7H15NO — CID 142194786

IUPAC(3S)-3-amino-5-methylhex-5-en-2-ol
SMILESC=C(C)C[C@H](N)C(C)O
InChIInChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h6-7,9H,1,4,8H2,2-3H3/t6?,7-/m0/s1
InChIKeyUODDASYHWKXBEW-MLWJPKLSSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds3

About (3S)-3-amino-5-methylhex-5-en-2-ol

(3S)-3-amino-5-methylhex-5-en-2-ol (PubChem CID 142194786) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-3-amino-5-methylhex-5-en-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-5-methylhex-5-en-2-ol
PubChem CID142194786
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-3-amino-5-methylhex-5-en-2-ol
SMILESC=C(C)C[C@H](N)C(C)O
InChIInChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h6-7,9H,1,4,8H2,2-3H3/t6?,7-/m0/s1
InChIKeyUODDASYHWKXBEW-MLWJPKLSSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
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

2-Amino-4-methylpent-4-en-1-ol
CID 55253753
2-Amino-4-methylidenehexan-1-ol
CID 55253962
3-Amino-4-methylpent-4-en-1-ol
CID 55283893
4-Amino-2-methylpent-1-en-3-ol
CID 55284173
(S)-2-Amino-4-methyl-4-penten-1-ol
CID 55289993
3-Aminohex-5-en-2-ol
CID 76224307
2-Amino-5-methylhex-5-en-3-ol
CID 87518036
2-Amino-5-methylidenecyclohexan-1-ol
CID 91362154
3-Amino-5-methylhept-5-en-2-ol
CID 91578217
(2R)-2-amino-3-methylidenepentan-1-ol
CID 117906863
2-Amino-4-methylidenecyclohexan-1-ol
CID 117930197
1-Amino-5-methylhex-5-en-2-ol
CID 117940718

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-methylhex-5-en-2-ol?
The IUPAC name of (3S)-3-amino-5-methylhex-5-en-2-ol (CID 142194786) is (3S)-3-amino-5-methylhex-5-en-2-ol.
What is the SMILES notation for (3S)-3-amino-5-methylhex-5-en-2-ol?
The canonical SMILES for (3S)-3-amino-5-methylhex-5-en-2-ol is C=C(C)C[C@H](N)C(C)O.
What is the InChIKey of (3S)-3-amino-5-methylhex-5-en-2-ol?
The InChIKey is UODDASYHWKXBEW-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h6-7,9H,1,4,8H2,2-3H3/t6?,7-/m0/s1.
What are the key properties of (3S)-3-amino-5-methylhex-5-en-2-ol?
(3S)-3-amino-5-methylhex-5-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-methylhex-5-en-2-ol is sourced from PubChem (CID 142194786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).