2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol

C12H21N3O — CID 112584231

IUPAC2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
SMILESCCC(NC)c1ccc(N(C)CCO)cn1
InChIInChI=1S/C12H21N3O/c1-4-11(13-2)12-6-5-10(9-14-12)15(3)7-8-16/h5-6,9,11,13,16H,4,7-8H2,1-3H3
InChIKeyITOVYLQZSZEZGO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds6

About 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol

2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol (PubChem CID 112584231) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
PubChem CID112584231
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
SMILESCCC(NC)c1ccc(N(C)CCO)cn1
InChIInChI=1S/C12H21N3O/c1-4-11(13-2)12-6-5-10(9-14-12)15(3)7-8-16/h5-6,9,11,13,16H,4,7-8H2,1-3H3
InChIKeyITOVYLQZSZEZGO-UHFFFAOYSA-N
XLogP1.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[1-(methylamino)propyl]-N-(2-methylsulfanylethyl)pyridin-3-amine
CID 112660524
N-methyl-6-[1-(methylamino)propyl]-N-(2-phenylethyl)pyridin-3-amine
CID 115939684
N-methyl-6-[1-(methylamino)propyl]-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 113498653
N-methyl-6-[1-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 115939368
N-methyl-6-[1-(methylamino)propyl]-N-(4-methylphenyl)pyridin-3-amine
CID 115939523
N-methyl-6-[1-(methylamino)propyl]-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 115939341
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
3-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]butanenitrile
CID 112584427
N-methyl-6-[1-(methylamino)propyl]-N-(oxan-4-yl)pyridin-3-amine
CID 112584222
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939346

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol (CID 112584231) is 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol is CCC(NC)c1ccc(N(C)CCO)cn1.
What is the InChIKey of 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol?
The InChIKey is ITOVYLQZSZEZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11(13-2)12-6-5-10(9-14-12)15(3)7-8-16/h5-6,9,11,13,16H,4,7-8H2,1-3H3.
What are the key properties of 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol?
2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 112584231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).