3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide

C11H18N4O — CID 106914433

IUPAC3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cnccc1CN
InChIInChI=1S/C11H18N4O/c1-13-11(16)4-6-15(2)10-8-14-5-3-9(10)7-12/h3,5,8H,4,6-7,12H2,1-2H3,(H,13,16)
InChIKeyAKZKXXZMCVIMHA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.11
Rot. Bonds5

About 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide

3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide (PubChem CID 106914433) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide
PubChem CID106914433
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cnccc1CN
InChIInChI=1S/C11H18N4O/c1-13-11(16)4-6-15(2)10-8-14-5-3-9(10)7-12/h3,5,8H,4,6-7,12H2,1-2H3,(H,13,16)
InChIKeyAKZKXXZMCVIMHA-UHFFFAOYSA-N
XLogP0.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914441
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[4-(aminomethyl)-3-fluoro-N-methylanilino]-N-methylpropanamide
CID 106914418
2-[(4-ethyl-3-pyridinyl)-methylamino]ethanol
CID 59382404
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
CID 106914569
3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915472
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
3-(3-amino-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918451
3-amino-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914247
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide (CID 106914433) is 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cnccc1CN.
What is the InChIKey of 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide?
The InChIKey is AKZKXXZMCVIMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-11(16)4-6-15(2)10-8-14-5-3-9(10)7-12/h3,5,8H,4,6-7,12H2,1-2H3,(H,13,16).
What are the key properties of 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide?
3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).