trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol

C12H25NO — CID 106328921

IUPACtrans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol
SMILESCCC(C)(CC)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H25NO/c1-4-12(3,5-2)13-10-8-6-7-9-11(10)14/h10-11,13-14H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeySRQHXKTVZGPIRB-QWRGUYRKSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds4

About trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol (PubChem CID 106328921) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol
PubChem CID106328921
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol
SMILESCCC(C)(CC)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H25NO/c1-4-12(3,5-2)13-10-8-6-7-9-11(10)14/h10-11,13-14H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeySRQHXKTVZGPIRB-QWRGUYRKSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
CID 106175555
2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106175834
2-ethyl-N-(3-methylpentan-3-yl)cyclohexan-1-amine
CID 106328263
2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
CID 79810260
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
2-methyl-2-[(2-methylsulfanylcyclohexyl)amino]butan-1-ol
CID 115927341
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
N-(3-methylpentan-3-yl)-2-methylsulfonylcyclopentan-1-amine
CID 115920343
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol (CID 106328921) is trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol is CCC(C)(CC)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol?
The InChIKey is SRQHXKTVZGPIRB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(3,5-2)13-10-8-6-7-9-11(10)14/h10-11,13-14H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 106328921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).