[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol

C15H33N3O — CID 79635513

IUPAC[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N(C)CCN(C)C)C1
InChIInChI=1S/C15H33N3O/c1-13(2)16-15(12-19)8-6-7-14(11-15)18(5)10-9-17(3)4/h13-14,16,19H,6-12H2,1-5H3
InChIKeyJPHHERWUBLFODQ-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds7

About [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol

[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79635513) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79635513
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N(C)CCN(C)C)C1
InChIInChI=1S/C15H33N3O/c1-13(2)16-15(12-19)8-6-7-14(11-15)18(5)10-9-17(3)4/h13-14,16,19H,6-12H2,1-5H3
InChIKeyJPHHERWUBLFODQ-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640094
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[3-[methyl-(2-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634733
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869
[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656830
[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 81065200
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79635513) is [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(N(C)CCN(C)C)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is JPHHERWUBLFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-13(2)16-15(12-19)8-6-7-14(11-15)18(5)10-9-17(3)4/h13-14,16,19H,6-12H2,1-5H3.
What are the key properties of [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79635513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).