(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol

C12H25NO — CID 103935271

IUPAC(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
SMILESC[C@H](O)CN(C)C1CCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-10(14)9-13(4)11-5-7-12(2,3)8-6-11/h10-11,14H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVPKHUZNUXGWOIS-JTQLQIEISA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

About (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol

(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol (PubChem CID 103935271) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
PubChem CID103935271
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
SMILESC[C@H](O)CN(C)C1CCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-10(14)9-13(4)11-5-7-12(2,3)8-6-11/h10-11,14H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVPKHUZNUXGWOIS-JTQLQIEISA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Ethylcyclohexyl)(propyl)amino]ethanol
CID 782139
1,1,1-Trifluoro-3-[methyl-(4-methylcyclohexyl)amino]propan-2-ol
CID 63900823
3-[(4,4-Dimethylcyclohexyl)-methylamino]-1,1,1-trifluoropropan-2-ol
CID 80238039
1-[2-Hydroxypropyl-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]amino]propan-2-ol
CID 19982121
2,2'-[(4-Methylcyclohexyl)imino]diethanol
CID 30982289
1-(4-(Tert-butyl)cyclohexyl)pyrrolidin-3-ol
CID 58395297
(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol
CID 58689258
2-[Methyl-(4-methylcyclohexyl)amino]ethanol
CID 61437349
1-[Methyl-(4-methylcyclohexyl)amino]propan-2-ol
CID 61437400
1-(4-Ethylcyclohexyl)azetidin-3-ol
CID 64775695
1-(4-Methylcyclohexyl)azetidin-3-ol
CID 64775696
2-[Methyl-(2,2,6,6-tetramethylcyclohexyl)amino]ethanol
CID 71071709

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol (CID 103935271) is (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol is C[C@H](O)CN(C)C1CCC(C)(C)CC1.
What is the InChIKey of (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol?
The InChIKey is VPKHUZNUXGWOIS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO/c1-10(14)9-13(4)11-5-7-12(2,3)8-6-11/h10-11,14H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol?
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol is sourced from PubChem (CID 103935271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).