[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol

C17H34N2O — CID 79640385

IUPAC[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCCN(C1CC1)C1CCCC(CO)(NCCC)C1
InChIInChI=1S/C17H34N2O/c1-3-5-12-19(15-8-9-15)16-7-6-10-17(13-16,14-20)18-11-4-2/h15-16,18,20H,3-14H2,1-2H3
InChIKeyIHBLYDDLJBLFHH-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.92
Rot. Bonds9

About [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol

[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol (PubChem CID 79640385) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
PubChem CID79640385
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCCN(C1CC1)C1CCCC(CO)(NCCC)C1
InChIInChI=1S/C17H34N2O/c1-3-5-12-19(15-8-9-15)16-7-6-10-17(13-16,14-20)18-11-4-2/h15-16,18,20H,3-14H2,1-2H3
InChIKeyIHBLYDDLJBLFHH-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
CID 79640161
[3-[butyl(cyclopropyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79655971
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79626971
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
[3-[butyl(ethyl)amino]-1-(ethylamino)cyclohexyl]methanol
CID 79633810
[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 81065200
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737

Frequently Asked Questions

What is the IUPAC name of [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol (CID 79640385) is [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol is CCCCN(C1CC1)C1CCCC(CO)(NCCC)C1.
What is the InChIKey of [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol?
The InChIKey is IHBLYDDLJBLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-12-19(15-8-9-15)16-7-6-10-17(13-16,14-20)18-11-4-2/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol?
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).