[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol

C16H35N3O — CID 79640784

IUPAC[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N(CCN(C)C)CC(C)C)C1
InChIInChI=1S/C16H35N3O/c1-14(2)12-19(10-9-18(4)5)15-7-6-8-16(11-15,13-20)17-3/h14-15,17,20H,6-13H2,1-5H3
InChIKeyWVVGVNKPHOWIKW-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.40
Rot. Bonds8

About [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol

[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640784) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
PubChem CID79640784
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N(CCN(C)C)CC(C)C)C1
InChIInChI=1S/C16H35N3O/c1-14(2)12-19(10-9-18(4)5)15-7-6-8-16(11-15,13-20)17-3/h14-15,17,20H,6-13H2,1-5H3
InChIKeyWVVGVNKPHOWIKW-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79655970
[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640947
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
[1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclopentyl]methanol
CID 79656680
[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 81065074
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395
[3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640094
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
[1-(methylamino)-3-[methyl(pentan-2-yl)amino]cyclopentyl]methanol
CID 79656781

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol (CID 79640784) is [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(N(CCN(C)C)CC(C)C)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol?
The InChIKey is WVVGVNKPHOWIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14(2)12-19(10-9-18(4)5)15-7-6-8-16(11-15,13-20)17-3/h14-15,17,20H,6-13H2,1-5H3.
What are the key properties of [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol?
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol has a molecular weight of 285.48 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).