(3S)-1-amino-3-methylpentan-1-ol

C6H15NO — CID 89066496

IUPAC(3S)-1-amino-3-methylpentan-1-ol
SMILESCC[C@H](C)CC(N)O
InChIInChI=1S/C6H15NO/c1-3-5(2)4-6(7)8/h5-6,8H,3-4,7H2,1-2H3/t5-,6?/m0/s1
InChIKeyUKDUMSWGZZRCNQ-ZBHICJROSA-N
MW117.19 g/mol
LogP0.70
Rot. Bonds3

About (3S)-1-amino-3-methylpentan-1-ol

(3S)-1-amino-3-methylpentan-1-ol (PubChem CID 89066496) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (3S)-1-amino-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3S)-1-amino-3-methylpentan-1-ol
PubChem CID89066496
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(3S)-1-amino-3-methylpentan-1-ol
SMILESCC[C@H](C)CC(N)O
InChIInChI=1S/C6H15NO/c1-3-5(2)4-6(7)8/h5-6,8H,3-4,7H2,1-2H3/t5-,6?/m0/s1
InChIKeyUKDUMSWGZZRCNQ-ZBHICJROSA-N
XLogP0.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methylhexan-2-amine
CID 141201507
1-amino-3-ethylpentane-1,4-diol
CID 57220298
2-amino-4-methylhexan-1-ol;hydrochloride
CID 55253854
3,5-dimethylheptane;ethane
CID 172617343
1-aminopropan-1-ol;hydrochloride
CID 18547293
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(4S)-2,4-dimethylhexane
CID 22810193
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
5-methyl-3-propan-2-ylheptan-2-amine
CID 62913811
carbonic acid;3-methylpentane-1,1-diol
CID 87689978
(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012
2,3,6-trimethyloctan-4-ol
CID 115789267

Frequently Asked Questions

What is the IUPAC name of (3S)-1-amino-3-methylpentan-1-ol?
The IUPAC name of (3S)-1-amino-3-methylpentan-1-ol (CID 89066496) is (3S)-1-amino-3-methylpentan-1-ol.
What is the SMILES notation for (3S)-1-amino-3-methylpentan-1-ol?
The canonical SMILES for (3S)-1-amino-3-methylpentan-1-ol is CC[C@H](C)CC(N)O.
What is the InChIKey of (3S)-1-amino-3-methylpentan-1-ol?
The InChIKey is UKDUMSWGZZRCNQ-ZBHICJROSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-5(2)4-6(7)8/h5-6,8H,3-4,7H2,1-2H3/t5-,6?/m0/s1.
What are the key properties of (3S)-1-amino-3-methylpentan-1-ol?
(3S)-1-amino-3-methylpentan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-amino-3-methylpentan-1-ol is sourced from PubChem (CID 89066496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).