trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol

C12H25NO — CID 102731911

IUPACtrans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
SMILESCCCC(C)N(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H25NO/c1-4-7-10(2)13(3)11-8-5-6-9-12(11)14/h10-12,14H,4-9H2,1-3H3/t10?,11-,12-/m0/s1
InChIKeyOVOWLXFUUMVZTO-RAMGSTBQSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds4

About trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol (PubChem CID 102731911) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
PubChem CID102731911
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
SMILESCCCC(C)N(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H25NO/c1-4-7-10(2)13(3)11-8-5-6-9-12(11)14/h10-12,14H,4-9H2,1-3H3/t10?,11-,12-/m0/s1
InChIKeyOVOWLXFUUMVZTO-RAMGSTBQSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol (CID 102731911) is trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol is CCCC(C)N(C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is OVOWLXFUUMVZTO-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-10(2)13(3)11-8-5-6-9-12(11)14/h10-12,14H,4-9H2,1-3H3/t10?,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).