[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol

C17H34N2O — CID 79635204

IUPAC[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N(C)C2CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-3-12-18-17(14-20)11-7-10-16(13-17)19(2)15-8-5-4-6-9-15/h15-16,18,20H,3-14H2,1-2H3
InChIKeySYXVQMIWMTXVHV-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.92
Rot. Bonds6

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

[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol (PubChem CID 79635204) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
PubChem CID79635204
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N(C)C2CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-3-12-18-17(14-20)11-7-10-16(13-17)19(2)15-8-5-4-6-9-15/h15-16,18,20H,3-14H2,1-2H3
InChIKeySYXVQMIWMTXVHV-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol (CID 79635204) is [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(N(C)C2CCCCC2)C1.
What is the InChIKey of [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
The InChIKey is SYXVQMIWMTXVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-12-18-17(14-20)11-7-10-16(13-17)19(2)15-8-5-4-6-9-15/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol?
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79635204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).