trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol

C12H18N2O — CID 102733463

IUPACtrans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
SMILESCc1cccnc1CN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H18N2O/c1-9-4-3-7-13-11(9)8-14-10-5-2-6-12(10)15/h3-4,7,10,12,14-15H,2,5-6,8H2,1H3/t10-,12-/m1/s1
InChIKeySQQHWKJJYZVRFM-ZYHUDNBSSA-N
MW206.29 g/mol
LogP1.39
Rot. Bonds3

About trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol

trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol (PubChem CID 102733463) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
PubChem CID102733463
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
SMILESCc1cccnc1CN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H18N2O/c1-9-4-3-7-13-11(9)8-14-10-5-2-6-12(10)15/h3-4,7,10,12,14-15H,2,5-6,8H2,1H3/t10-,12-/m1/s1
InChIKeySQQHWKJJYZVRFM-ZYHUDNBSSA-N
XLogP1.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol with MolForge

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Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol (CID 102733463) is trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol is Cc1cccnc1CN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol?
The InChIKey is SQQHWKJJYZVRFM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-3-7-13-11(9)8-14-10-5-2-6-12(10)15/h3-4,7,10,12,14-15H,2,5-6,8H2,1H3/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol?
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).