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

C11H23NO — CID 93346375

IUPAC2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
SMILESC[C@H]1CCC[C@@H](NCC(C)(C)O)C1
InChIInChI=1S/C11H23NO/c1-9-5-4-6-10(7-9)12-8-11(2,3)13/h9-10,12-13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyLOFVASGGNOFIJS-VHSXEESVSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds3

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

2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol (PubChem CID 93346375) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
PubChem CID93346375
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
SMILESC[C@H]1CCC[C@@H](NCC(C)(C)O)C1
InChIInChI=1S/C11H23NO/c1-9-5-4-6-10(7-9)12-8-11(2,3)13/h9-10,12-13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyLOFVASGGNOFIJS-VHSXEESVSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
2-ethyl-2-[[(3-methylcyclohexyl)amino]methyl]butanoic acid
CID 122128820
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-methylpropan-2-ol
CID 63239236
2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103952729
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N,3-dimethylcyclohexan-1-amine
CID 16771259
N-(2,3-dichloroprop-2-enyl)-3-methylcyclohexan-1-amine
CID 79167631
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol (CID 93346375) is 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol is C[C@H]1CCC[C@@H](NCC(C)(C)O)C1.
What is the InChIKey of 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol?
The InChIKey is LOFVASGGNOFIJS-VHSXEESVSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-5-4-6-10(7-9)12-8-11(2,3)13/h9-10,12-13H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol?
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 93346375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).