4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol

C12H23NO2 — CID 103881245

IUPAC4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCC2(O)CCCC2)CC1
InChIInChI=1S/C12H23NO2/c14-11-5-3-10(4-6-11)13-9-12(15)7-1-2-8-12/h10-11,13-15H,1-9H2
InChIKeyBNLFRZDXDCYMPE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds3

About 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol

4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol (PubChem CID 103881245) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
PubChem CID103881245
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCC2(O)CCCC2)CC1
InChIInChI=1S/C12H23NO2/c14-11-5-3-10(4-6-11)13-9-12(15)7-1-2-8-12/h10-11,13-15H,1-9H2
InChIKeyBNLFRZDXDCYMPE-UHFFFAOYSA-N
XLogP1.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol (CID 103881245) is 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol is OC1CCC(NCC2(O)CCCC2)CC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol?
The InChIKey is BNLFRZDXDCYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-11-5-3-10(4-6-11)13-9-12(15)7-1-2-8-12/h10-11,13-15H,1-9H2.
What are the key properties of 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol?
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 103881245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).