[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol

C17H37N3O — CID 79633532

IUPAC[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N(CCC)CCN(C)C)C1
InChIInChI=1S/C17H37N3O/c1-5-10-18-17(15-21)9-7-8-16(14-17)20(11-6-2)13-12-19(3)4/h16,18,21H,5-15H2,1-4H3
InChIKeyWNAPUYDYZBXOAI-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds10

About [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol

[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol (PubChem CID 79633532) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
PubChem CID79633532
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N(CCC)CCN(C)C)C1
InChIInChI=1S/C17H37N3O/c1-5-10-18-17(15-21)9-7-8-16(14-17)20(11-6-2)13-12-19(3)4/h16,18,21H,5-15H2,1-4H3
InChIKeyWNAPUYDYZBXOAI-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656540
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 81065200
[3-[cyclopropylmethyl(ethyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656262
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
[3-[butyl(ethyl)amino]-1-(ethylamino)cyclohexyl]methanol
CID 79633810
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol (CID 79633532) is [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(N(CCC)CCN(C)C)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol?
The InChIKey is WNAPUYDYZBXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-10-18-17(15-21)9-7-8-16(14-17)20(11-6-2)13-12-19(3)4/h16,18,21H,5-15H2,1-4H3.
What are the key properties of [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol?
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79633532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).