[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol

C16H29NO — CID 79551480

IUPAC[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCC1CC2CCC1C2
InChIInChI=1S/C16H29NO/c18-11-15-4-2-1-3-14(15)9-17-10-16-8-12-5-6-13(16)7-12/h12-18H,1-11H2
InChIKeyXRQVEMWOGRGLSZ-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.81
Rot. Bonds5

About [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol

[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 79551480) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
PubChem CID79551480
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNCC1CC2CCC1C2
InChIInChI=1S/C16H29NO/c18-11-15-4-2-1-3-14(15)9-17-10-16-8-12-5-6-13(16)7-12/h12-18H,1-11H2
InChIKeyXRQVEMWOGRGLSZ-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol
CID 130763821
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(1,1-dioxothiolan-3-yl)methanamine
CID 79554926
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N,N-diethylacetamide
CID 63683853
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol (CID 79551480) is [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol is OCC1CCCCC1CNCC1CC2CCC1C2.
What is the InChIKey of [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is XRQVEMWOGRGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-11-15-4-2-1-3-14(15)9-17-10-16-8-12-5-6-13(16)7-12/h12-18H,1-11H2.
What are the key properties of [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol?
[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 251.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 79551480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).