1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol

C13H25NO2 — CID 103625161

IUPAC1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C13H25NO2/c15-12-6-4-11(5-7-12)14-10-13(16)8-2-1-3-9-13/h11-12,14-16H,1-10H2
InChIKeySRFQWIGVXDDWRT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.57
Rot. Bonds3

About 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol

1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 103625161) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID103625161
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C13H25NO2/c15-12-6-4-11(5-7-12)14-10-13(16)8-2-1-3-9-13/h11-12,14-16H,1-10H2
InChIKeySRFQWIGVXDDWRT-UHFFFAOYSA-N
XLogP1.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107657
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
1-[(oxetan-3-ylamino)methyl]cyclohexan-1-ol
CID 65108688

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol (CID 103625161) is 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol is OC1CCC(NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is SRFQWIGVXDDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-12-6-4-11(5-7-12)14-10-13(16)8-2-1-3-9-13/h11-12,14-16H,1-10H2.
What are the key properties of 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol?
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103625161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).