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

C9H19NO — CID 95368773

IUPAC(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
SMILESC[C@@H]1CC[C@H](N[C@@H](C)CO)C1
InChIInChI=1S/C9H19NO/c1-7-3-4-9(5-7)10-8(2)6-11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyDDJPNQYHUGFNRV-VGMNWLOBSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

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

(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol (PubChem CID 95368773) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
PubChem CID95368773
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
SMILESC[C@@H]1CC[C@H](N[C@@H](C)CO)C1
InChIInChI=1S/C9H19NO/c1-7-3-4-9(5-7)10-8(2)6-11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyDDJPNQYHUGFNRV-VGMNWLOBSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
(2S)-2-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082560
(2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082557
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 114985548
2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 43499568
2-(cyclododecylamino)propan-1-ol
CID 43499740
2-[(2,6-dimethyloxan-4-yl)amino]propan-1-ol
CID 75525275
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol (CID 95368773) is (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol is C[C@@H]1CC[C@H](N[C@@H](C)CO)C1.
What is the InChIKey of (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol?
The InChIKey is DDJPNQYHUGFNRV-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-3-4-9(5-7)10-8(2)6-11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol?
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol is sourced from PubChem (CID 95368773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).