1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol

C16H29NO — CID 60896594

IUPAC1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-12(15-10-13-5-6-14(15)9-13)17-11-16(18)7-3-2-4-8-16/h12-15,17-18H,2-11H2,1H3
InChIKeyWINYYZDYDFEKAZ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.10
Rot. Bonds4

About 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 60896594) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID60896594
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-12(15-10-13-5-6-14(15)9-13)17-11-16(18)7-3-2-4-8-16/h12-15,17-18H,2-11H2,1H3
InChIKeyWINYYZDYDFEKAZ-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol (CID 60896594) is 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1(O)CCCCC1)C1CC2CCC1C2.
What is the InChIKey of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is WINYYZDYDFEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(15-10-13-5-6-14(15)9-13)17-11-16(18)7-3-2-4-8-16/h12-15,17-18H,2-11H2,1H3.
What are the key properties of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 60896594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).