(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol

C10H21NO — CID 155141541

IUPAC(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@H]1CCCCC1(C)O
InChIInChI=1S/C10H21NO/c1-8(2)11-9-6-4-5-7-10(9,3)12/h8-9,11-12H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyGLUVEGREUMGMNB-RGURZIINSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds2

About (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol

(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol (PubChem CID 155141541) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
PubChem CID155141541
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@H]1CCCCC1(C)O
InChIInChI=1S/C10H21NO/c1-8(2)11-9-6-4-5-7-10(9,3)12/h8-9,11-12H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyGLUVEGREUMGMNB-RGURZIINSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol (CID 155141541) is (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol is CC(C)N[C@H]1CCCCC1(C)O.
What is the InChIKey of (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol?
The InChIKey is GLUVEGREUMGMNB-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-9-6-4-5-7-10(9,3)12/h8-9,11-12H,4-7H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol?
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 155141541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).