2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol

C10H17N3O — CID 104554394

IUPAC2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(N)nc1
InChIInChI=1S/C10H17N3O/c1-8(7-14)13(2)6-9-3-4-10(11)12-5-9/h3-5,8,14H,6-7H2,1-2H3,(H2,11,12)
InChIKeyWEGDBURYWJXORR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.48
Rot. Bonds4

About 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol

2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol (PubChem CID 104554394) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
PubChem CID104554394
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1ccc(N)nc1
InChIInChI=1S/C10H17N3O/c1-8(7-14)13(2)6-9-3-4-10(11)12-5-9/h3-5,8,14H,6-7H2,1-2H3,(H2,11,12)
InChIKeyWEGDBURYWJXORR-UHFFFAOYSA-N
XLogP0.48
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
CID 104551473
(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol
CID 167160691
5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
CID 115984767
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554407
2-[(4-iodophenyl)methyl-methylamino]propan-1-ol
CID 115877332
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 104870323
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 55046282
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-methylamino]propan-1-ol
CID 104554411
5-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]pyridin-2-amine
CID 55046277

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol (CID 104554394) is 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol?
The InChIKey is WEGDBURYWJXORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(7-14)13(2)6-9-3-4-10(11)12-5-9/h3-5,8,14H,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol?
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104554394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).