(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol

C15H22N2O — CID 83132171

IUPAC(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(CC2CC2)CC2CC2)cn1
InChIInChI=1S/C15H22N2O/c1-11(18)15-7-6-14(8-16-15)17(9-12-2-3-12)10-13-4-5-13/h6-8,11-13,18H,2-5,9-10H2,1H3/t11-/m0/s1
InChIKeyOWHJHSASGLXTFP-NSHDSACASA-N
MW246.35 g/mol
LogP2.76
Rot. Bonds6

About (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol

(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132171) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
PubChem CID83132171
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(CC2CC2)CC2CC2)cn1
InChIInChI=1S/C15H22N2O/c1-11(18)15-7-6-14(8-16-15)17(9-12-2-3-12)10-13-4-5-13/h6-8,11-13,18H,2-5,9-10H2,1H3/t11-/m0/s1
InChIKeyOWHJHSASGLXTFP-NSHDSACASA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
(1R)-1-[5-[cyclopropylmethyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355380
1-[5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-pyridinyl]ethanol
CID 83132165
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
6-[(1S)-1-aminoethyl]-N-(cyclopropylmethyl)-N-propylpyridin-3-amine
CID 83122583
6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
CID 83127891
2-[cyanomethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetonitrile
CID 83132280
(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol
CID 83132424
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
CID 83127735

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol (CID 83132171) is (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol is C[C@H](O)c1ccc(N(CC2CC2)CC2CC2)cn1.
What is the InChIKey of (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol?
The InChIKey is OWHJHSASGLXTFP-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(18)15-7-6-14(8-16-15)17(9-12-2-3-12)10-13-4-5-13/h6-8,11-13,18H,2-5,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).