(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol

C12H18N2O — CID 83132456

IUPAC(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)CC2CC2)cn1
InChIInChI=1S/C12H18N2O/c1-9(15)12-6-5-11(7-13-12)14(2)8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyXNLCVBMOFQVSRU-SECBINFHSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds4

About (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol

(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132456) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
PubChem CID83132456
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)CC2CC2)cn1
InChIInChI=1S/C12H18N2O/c1-9(15)12-6-5-11(7-13-12)14(2)8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyXNLCVBMOFQVSRU-SECBINFHSA-N
XLogP1.98
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol (CID 83132456) is (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(N(C)CC2CC2)cn1.
What is the InChIKey of (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol?
The InChIKey is XNLCVBMOFQVSRU-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(15)12-6-5-11(7-13-12)14(2)8-10-3-4-10/h5-7,9-10,15H,3-4,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol?
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).