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

C12H21N5O — CID 62673047

IUPAC2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nccnc1CN
InChIInChI=1S/C12H21N5O/c1-4-7-17(9-11(18)16(2)3)12-10(8-13)14-5-6-15-12/h5-6H,4,7-9,13H2,1-3H3
InChIKeyNTTMUXPEGDEWQN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.24
Rot. Bonds6

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

2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 62673047) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID62673047
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nccnc1CN
InChIInChI=1S/C12H21N5O/c1-4-7-17(9-11(18)16(2)3)12-10(8-13)14-5-6-15-12/h5-6H,4,7-9,13H2,1-3H3
InChIKeyNTTMUXPEGDEWQN-UHFFFAOYSA-N
XLogP0.24
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide (CID 62673047) is 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nccnc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is NTTMUXPEGDEWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-7-17(9-11(18)16(2)3)12-10(8-13)14-5-6-15-12/h5-6H,4,7-9,13H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide?
2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62673047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).