2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol

C16H29NO — CID 79564028

IUPAC2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1CCCC1O)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-17(8-7-13-3-2-4-16(13)18)11-15-10-12-5-6-14(15)9-12/h12-16,18H,2-11H2,1H3
InChIKeyCUTWEPSQVMHLFA-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol

2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol (PubChem CID 79564028) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
PubChem CID79564028
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1CCCC1O)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-17(8-7-13-3-2-4-16(13)18)11-15-10-12-5-6-14(15)9-12/h12-16,18H,2-11H2,1H3
InChIKeyCUTWEPSQVMHLFA-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol with MolForge

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Related Compounds

trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]cyclopentan-1-ol
CID 79564109
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241451
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentan-1-ol
CID 63211351
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
CID 63685558
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(2-chlorophenyl)propan-1-one
CID 63681519

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol (CID 79564028) is 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol is CN(CCC1CCCC1O)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol?
The InChIKey is CUTWEPSQVMHLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-17(8-7-13-3-2-4-16(13)18)11-15-10-12-5-6-14(15)9-12/h12-16,18H,2-11H2,1H3.
What are the key properties of 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol?
2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).