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

C17H32N2O — CID 79640161

IUPAC[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
SMILESCCCCN(C1CC1)C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C17H32N2O/c1-2-3-11-19(15-8-9-15)16-5-4-10-17(12-16,13-20)18-14-6-7-14/h14-16,18,20H,2-13H2,1H3
InChIKeyRNANCOIPPQIZLL-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.68
Rot. Bonds8

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

[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol (PubChem CID 79640161) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
PubChem CID79640161
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
SMILESCCCCN(C1CC1)C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C17H32N2O/c1-2-3-11-19(15-8-9-15)16-5-4-10-17(12-16,13-20)18-14-6-7-14/h14-16,18,20H,2-13H2,1H3
InChIKeyRNANCOIPPQIZLL-UHFFFAOYSA-N
XLogP2.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
[3-[butyl(cyclopropyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79655971
[3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656594
[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol
CID 102998353
[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
CID 79634544
1-(cyclopropylamino)-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79635921
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395
[3-[butyl(ethyl)amino]-1-(ethylamino)cyclohexyl]methanol
CID 79633810
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79626971

Frequently Asked Questions

What is the IUPAC name of [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol?
The IUPAC name of [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol (CID 79640161) is [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol is CCCCN(C1CC1)C1CCCC(CO)(NC2CC2)C1.
What is the InChIKey of [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol?
The InChIKey is RNANCOIPPQIZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-3-11-19(15-8-9-15)16-5-4-10-17(12-16,13-20)18-14-6-7-14/h14-16,18,20H,2-13H2,1H3.
What are the key properties of [3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol?
[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol has a molecular weight of 280.46 g/mol, XLogP of 2.68, 8 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-(cyclopropylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).