[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol

C12H21N3O — CID 63700089

IUPAC[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol
SMILESCN(C)CCCN(C)c1ccnc(CO)c1
InChIInChI=1S/C12H21N3O/c1-14(2)7-4-8-15(3)12-5-6-13-11(9-12)10-16/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyIAXSLBSQEPJUJA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.96
Rot. Bonds6

About [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol

[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol (PubChem CID 63700089) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol
PubChem CID63700089
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol
SMILESCN(C)CCCN(C)c1ccnc(CO)c1
InChIInChI=1S/C12H21N3O/c1-14(2)7-4-8-15(3)12-5-6-13-11(9-12)10-16/h5-6,9,16H,4,7-8,10H2,1-3H3
InChIKeyIAXSLBSQEPJUJA-UHFFFAOYSA-N
XLogP0.96
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(aminomethyl)-4-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695632
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255837
[4-[(4-chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 61415178
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
[4-[cyclopentyl(methyl)amino]-2-pyridinyl]methanol
CID 61255816
[4-[bis(3-methylbutyl)amino]-2-pyridinyl]methanol
CID 107870750
[4-[cycloheptyl(methyl)amino]-2-pyridinyl]methanol
CID 61255198
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79318503
[4-[methyl-(4-methylcyclohexyl)amino]-2-pyridinyl]methanol
CID 61437354
5-[(2-methoxy-4-pyridinyl)-methylamino]pentan-1-ol
CID 107203261
[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
CID 63699924
[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid
CID 67452971

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol?
The IUPAC name of [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol (CID 63700089) is [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol is CN(C)CCCN(C)c1ccnc(CO)c1.
What is the InChIKey of [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol?
The InChIKey is IAXSLBSQEPJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(2)7-4-8-15(3)12-5-6-13-11(9-12)10-16/h5-6,9,16H,4,7-8,10H2,1-3H3.
What are the key properties of [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol?
[4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propyl-methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 63700089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).