(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol

C10H21NO — CID 124674906

IUPAC(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
SMILESC[C@@H]1CC[C@H](NCC[C@H](C)O)C1
InChIInChI=1S/C10H21NO/c1-8-3-4-10(7-8)11-6-5-9(2)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyGXZZAGNHZIDJGO-UTLUCORTSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds4

About (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol

(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol (PubChem CID 124674906) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
PubChem CID124674906
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
SMILESC[C@@H]1CC[C@H](NCC[C@H](C)O)C1
InChIInChI=1S/C10H21NO/c1-8-3-4-10(7-8)11-6-5-9(2)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyGXZZAGNHZIDJGO-UTLUCORTSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol with MolForge

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Related Compounds

N-(3-methoxypropyl)-3-methylcyclopentan-1-amine
CID 2849462
2-[[(1R,2R)-2-methylcyclopentyl]amino]ethanol
CID 95377443
1,1-Difluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 103731542
3-[(3-Ethylcyclopentyl)amino]-2,2-difluoropropan-1-ol
CID 104857355
2,2-Difluoro-3-[(2-methylcyclopentyl)amino]propan-1-ol
CID 104857465
2,2-Difluoro-3-[(3-methylcyclopentyl)amino]propan-1-ol
CID 104857803
3-(1-Cyclopentylethylamino)-2,2-difluoropropan-1-ol
CID 104860459
1,1,1-Trifluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115652681
1-Fluoro-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 165602053
1-Fluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 165602054
trans-(1S,2S)-2-(propylaminomethyl)cyclopentan-1-ol
CID 100990327
2-[(Propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol?
The IUPAC name of (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol (CID 124674906) is (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol?
The canonical SMILES for (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol is C[C@@H]1CC[C@H](NCC[C@H](C)O)C1.
What is the InChIKey of (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol?
The InChIKey is GXZZAGNHZIDJGO-UTLUCORTSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-3-4-10(7-8)11-6-5-9(2)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m1/s1.
What are the key properties of (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol?
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol is sourced from PubChem (CID 124674906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).