2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide

C13H22N4O — CID 54985030

IUPAC2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ncccc1CN
InChIInChI=1S/C13H22N4O/c1-4-8-17(10-12(18)16(2)3)13-11(9-14)6-5-7-15-13/h5-7H,4,8-10,14H2,1-3H3
InChIKeyDHRHXLFNNMIGMY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds6

About 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide

2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 54985030) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
PubChem CID54985030
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ncccc1CN
InChIInChI=1S/C13H22N4O/c1-4-8-17(10-12(18)16(2)3)13-11(9-14)6-5-7-15-13/h5-7H,4,8-10,14H2,1-3H3
InChIKeyDHRHXLFNNMIGMY-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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Related Compounds

2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62673047
2-[[3-(aminomethyl)-2-pyridinyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922923
3-(aminomethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 43587118
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
CID 80509081
2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448987
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 103752570
[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 65427421

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide (CID 54985030) is 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1ncccc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is DHRHXLFNNMIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-8-17(10-12(18)16(2)3)13-11(9-14)6-5-7-15-13/h5-7H,4,8-10,14H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide?
2-[[3-(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-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 54985030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).