1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol

C14H30N2O — CID 104531548

IUPAC1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol
SMILESCC1CCC(NCC(C)(O)CN(C)C)C(C)C1
InChIInChI=1S/C14H30N2O/c1-11-6-7-13(12(2)8-11)15-9-14(3,17)10-16(4)5/h11-13,15,17H,6-10H2,1-5H3
InChIKeyAERXKOQFSUCORX-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds5

About 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol (PubChem CID 104531548) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol
PubChem CID104531548
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol
SMILESCC1CCC(NCC(C)(O)CN(C)C)C(C)C1
InChIInChI=1S/C14H30N2O/c1-11-6-7-13(12(2)8-11)15-9-14(3,17)10-16(4)5/h11-13,15,17H,6-10H2,1-5H3
InChIKeyAERXKOQFSUCORX-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627943
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
1-(Dimethylamino)-2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 104844816
1-(Dimethylamino)-2-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 106145838
2-[2,2-Difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
CID 107486480
2-[2,2-Difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 107486643
2-[[5-Methyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486782
2-[[2-(Ethylamino)-5-methylcyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486783
2-[[5-Methyl-2-(propylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107487019
2-[2,2-Difluoroethyl-[[5-methyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 113965144
1-(Dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 121520131
(2R)-1-(dimethylamino)-2-methyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 124670823

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol (CID 104531548) is 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol is CC1CCC(NCC(C)(O)CN(C)C)C(C)C1.
What is the InChIKey of 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol?
The InChIKey is AERXKOQFSUCORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11-6-7-13(12(2)8-11)15-9-14(3,17)10-16(4)5/h11-13,15,17H,6-10H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 104531548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).