3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

C14H21ClN4 — CID 78960376

IUPAC3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H21ClN4/c1-11(6-7-18(2)3)16-8-13-10-19-9-12(15)4-5-14(19)17-13/h4-5,9-11,16H,6-8H2,1-3H3
InChIKeySNKKZRVUUHEPHH-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.42
Rot. Bonds6

About 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 78960376) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID78960376
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H21ClN4/c1-11(6-7-18(2)3)16-8-13-10-19-9-12(15)4-5-14(19)17-13/h4-5,9-11,16H,6-8H2,1-3H3
InChIKeySNKKZRVUUHEPHH-UHFFFAOYSA-N
XLogP2.42
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 78960376) is 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is SNKKZRVUUHEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-11(6-7-18(2)3)16-8-13-10-19-9-12(15)4-5-14(19)17-13/h4-5,9-11,16H,6-8H2,1-3H3.
What are the key properties of 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 280.80 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 78960376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).