trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol

C14H25NO — CID 102734752

IUPACtrans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
SMILESCN(CC1CC2CCC1C2)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H25NO/c1-15(13-3-2-4-14(13)16)9-12-8-10-5-6-11(12)7-10/h10-14,16H,2-9H2,1H3/t10?,11?,12?,13-,14-/m1/s1
InChIKeyDGLPDBGMEVZXCK-GKAMHTFCSA-N
MW223.36 g/mol
LogP2.27
Rot. Bonds3

About trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol (PubChem CID 102734752) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
PubChem CID102734752
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nametrans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
SMILESCN(CC1CC2CCC1C2)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H25NO/c1-15(13-3-2-4-14(13)16)9-12-8-10-5-6-11(12)7-10/h10-14,16H,2-9H2,1H3/t10?,11?,12?,13-,14-/m1/s1
InChIKeyDGLPDBGMEVZXCK-GKAMHTFCSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79857271
2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]cyclopentan-1-ol
CID 79564028
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79641776
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-methylcyclopentane-1,3-diamine
CID 79468782
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-ethyl-1-N-methylcyclohexane-1,3-diamine
CID 79618401
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexan-1-one
CID 79618760
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N,4-trimethylcyclohexane-1,2-diamine
CID 55231832
methyl 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylate
CID 79633577
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol (CID 102734752) is trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol is CN(CC1CC2CCC1C2)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol?
The InChIKey is DGLPDBGMEVZXCK-GKAMHTFCSA-N. The full InChI is InChI=1S/C14H25NO/c1-15(13-3-2-4-14(13)16)9-12-8-10-5-6-11(12)7-10/h10-14,16H,2-9H2,1H3/t10?,11?,12?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).