2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide

C13H22N4O — CID 54984980

IUPAC2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(CN)ccn1
InChIInChI=1S/C13H22N4O/c1-4-7-17(10-13(18)16(2)3)12-8-11(9-14)5-6-15-12/h5-6,8H,4,7,9-10,14H2,1-3H3
InChIKeyJXIVJGLSDLDGCJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds6

About 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide

2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 54984980) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
PubChem CID54984980
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(CN)ccn1
InChIInChI=1S/C13H22N4O/c1-4-7-17(10-13(18)16(2)3)12-8-11(9-14)5-6-15-12/h5-6,8H,4,7,9-10,14H2,1-3H3
InChIKeyJXIVJGLSDLDGCJ-UHFFFAOYSA-N
XLogP0.84
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide (CID 54984980) is 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(CN)ccn1.
What is the InChIKey of 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is JXIVJGLSDLDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-7-17(10-13(18)16(2)3)12-8-11(9-14)5-6-15-12/h5-6,8H,4,7,9-10,14H2,1-3H3.
What are the key properties of 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 54984980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).