1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol

C12H26N2O — CID 60899512

IUPAC1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(NCC(O)CN(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10-5-4-6-11(7-10)13-8-12(15)9-14(2)3/h10-13,15H,4-9H2,1-3H3
InChIKeyJDCXRYZXFFMYSI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol

1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol (PubChem CID 60899512) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol
PubChem CID60899512
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(NCC(O)CN(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10-5-4-6-11(7-10)13-8-12(15)9-14(2)3/h10-13,15H,4-9H2,1-3H3
InChIKeyJDCXRYZXFFMYSI-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115671208
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
CID 111466545
1-(cyclopropylamino)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61447892
1-(dimethylamino)-3-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 81422257
1-(dimethylamino)-3-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 115718067
1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
1-(dimethylamino)-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 54962696
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62358751
1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol
CID 114123069
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
CID 63693072
1-(cyclobutylamino)butan-2-ol
CID 62416322

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol (CID 60899512) is 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol is CC1CCCC(NCC(O)CN(C)C)C1.
What is the InChIKey of 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is JDCXRYZXFFMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-5-4-6-11(7-10)13-8-12(15)9-14(2)3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol?
1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60899512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).