2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol

C16H31NO — CID 55094766

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCCC2)C1
InChIInChI=1S/C16H31NO/c1-3-6-13-9-10-16(18)14(11-13)12-17(2)15-7-4-5-8-15/h13-16,18H,3-12H2,1-2H3
InChIKeyXFXVNEPDDQVJPH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds5

About 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094766) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID55094766
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)C2CCCC2)C1
InChIInChI=1S/C16H31NO/c1-3-6-13-9-10-16(18)14(11-13)12-17(2)15-7-4-5-8-15/h13-16,18H,3-12H2,1-2H3
InChIKeyXFXVNEPDDQVJPH-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 55094766) is 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)C2CCCC2)C1.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is XFXVNEPDDQVJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-6-13-9-10-16(18)14(11-13)12-17(2)15-7-4-5-8-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).