(2S)-5-amino-2-methylpentan-1-ol

C6H15NO — CID 94975378

IUPAC(2S)-5-amino-2-methylpentan-1-ol
SMILESC[C@H](CO)CCCN
InChIInChI=1S/C6H15NO/c1-6(5-8)3-2-4-7/h6,8H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyJTFYMMKMDXPADE-LURJTMIESA-N
MW117.19 g/mol
LogP0.35
Rot. Bonds4

About (2S)-5-amino-2-methylpentan-1-ol

(2S)-5-amino-2-methylpentan-1-ol (PubChem CID 94975378) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S)-5-amino-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-5-amino-2-methylpentan-1-ol
PubChem CID94975378
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S)-5-amino-2-methylpentan-1-ol
SMILESC[C@H](CO)CCCN
InChIInChI=1S/C6H15NO/c1-6(5-8)3-2-4-7/h6,8H,2-5,7H2,1H3/t6-/m0/s1
InChIKeyJTFYMMKMDXPADE-LURJTMIESA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
2-methylhexan-1-ol
CID 159157237
9-amino-5-methylnonan-1-ol
CID 57209196
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
4,7-dimethyloctan-1-amine
CID 123439711
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
4-methylheptan-1-amine
CID 18618988
CID 172712223
CID 172712223
5-amino-2-tert-butylpentan-1-ol
CID 59516739
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-methylpentan-1-ol?
The IUPAC name of (2S)-5-amino-2-methylpentan-1-ol (CID 94975378) is (2S)-5-amino-2-methylpentan-1-ol.
What is the SMILES notation for (2S)-5-amino-2-methylpentan-1-ol?
The canonical SMILES for (2S)-5-amino-2-methylpentan-1-ol is C[C@H](CO)CCCN.
What is the InChIKey of (2S)-5-amino-2-methylpentan-1-ol?
The InChIKey is JTFYMMKMDXPADE-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO/c1-6(5-8)3-2-4-7/h6,8H,2-5,7H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-5-amino-2-methylpentan-1-ol?
(2S)-5-amino-2-methylpentan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-methylpentan-1-ol is sourced from PubChem (CID 94975378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).