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

C12H25NO — CID 96784202

IUPAC(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
SMILESCC[C@H]1CCCC[C@@H]1NCC[C@@H](C)O
InChIInChI=1S/C12H25NO/c1-3-11-6-4-5-7-12(11)13-9-8-10(2)14/h10-14H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyZSPNBGVJQNYXES-WOPDTQHZSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

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

(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol (PubChem CID 96784202) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
PubChem CID96784202
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
SMILESCC[C@H]1CCCC[C@@H]1NCC[C@@H](C)O
InChIInChI=1S/C12H25NO/c1-3-11-6-4-5-7-12(11)13-9-8-10(2)14/h10-14H,3-9H2,1-2H3/t10-,11+,12+/m1/s1
InChIKeyZSPNBGVJQNYXES-WOPDTQHZSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580
1-[(2-ethylcyclopentyl)amino]pentan-2-ol
CID 115719434
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
N'-tert-butyl-N-(2-ethylcyclohexyl)ethane-1,2-diamine
CID 107445044
2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
CID 54957422
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol?
The IUPAC name of (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol (CID 96784202) is (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol is CC[C@H]1CCCC[C@@H]1NCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol?
The InChIKey is ZSPNBGVJQNYXES-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11-6-4-5-7-12(11)13-9-8-10(2)14/h10-14H,3-9H2,1-2H3/t10-,11+,12+/m1/s1.
What are the key properties of (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol?
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 96784202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).