2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol

C12H18N2O — CID 114757045

IUPAC2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
SMILESCc1cnccc1NCC1(CCO)CC1
InChIInChI=1S/C12H18N2O/c1-10-8-13-6-2-11(10)14-9-12(3-4-12)5-7-15/h2,6,8,15H,3-5,7,9H2,1H3,(H,13,14)
InChIKeyRGTOWYNODPVJED-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114757045) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
PubChem CID114757045
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
SMILESCc1cnccc1NCC1(CCO)CC1
InChIInChI=1S/C12H18N2O/c1-10-8-13-6-2-11(10)14-9-12(3-4-12)5-7-15/h2,6,8,15H,3-5,7,9H2,1H3,(H,13,14)
InChIKeyRGTOWYNODPVJED-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
[1-[[(3-fluoro-4-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 164657514
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
CID 114759206
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
CID 65110464
[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
2-[1-[[(5-amino-2-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114755814
N-(2-chloropropyl)-3-methylpyridin-4-amine
CID 65027865
2-hydroxy-3-[(3-methyl-4-pyridinyl)amino]propanamide
CID 106170708

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol (CID 114757045) is 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol is Cc1cnccc1NCC1(CCO)CC1.
What is the InChIKey of 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is RGTOWYNODPVJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-8-13-6-2-11(10)14-9-12(3-4-12)5-7-15/h2,6,8,15H,3-5,7,9H2,1H3,(H,13,14).
What are the key properties of 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114757045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).