[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol

C15H29NO — CID 62265840

IUPAC[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol
SMILESCN(CC1CCCCC1)CC1(CO)CCCC1
InChIInChI=1S/C15H29NO/c1-16(11-14-7-3-2-4-8-14)12-15(13-17)9-5-6-10-15/h14,17H,2-13H2,1H3
InChIKeyJIRRNBIIAJNCDC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds5

About [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol

[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol (PubChem CID 62265840) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol
PubChem CID62265840
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol
SMILESCN(CC1CCCCC1)CC1(CO)CCCC1
InChIInChI=1S/C15H29NO/c1-16(11-14-7-3-2-4-8-14)12-15(13-17)9-5-6-10-15/h14,17H,2-13H2,1H3
InChIKeyJIRRNBIIAJNCDC-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol (CID 62265840) is [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol is CN(CC1CCCCC1)CC1(CO)CCCC1.
What is the InChIKey of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is JIRRNBIIAJNCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-16(11-14-7-3-2-4-8-14)12-15(13-17)9-5-6-10-15/h14,17H,2-13H2,1H3.
What are the key properties of [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol?
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62265840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).