N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine

C13H21N5 — CID 132578569

IUPACN',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cnc2c(NCCN(C)C)nccc21
InChIInChI=1S/C13H21N5/c1-10(2)18-9-16-12-11(18)5-6-14-13(12)15-7-8-17(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,15)
InChIKeyFHEPNTTYWYHVKY-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.99
Rot. Bonds5

About N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine (PubChem CID 132578569) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine
PubChem CID132578569
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cnc2c(NCCN(C)C)nccc21
InChIInChI=1S/C13H21N5/c1-10(2)18-9-16-12-11(18)5-6-14-13(12)15-7-8-17(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,15)
InChIKeyFHEPNTTYWYHVKY-UHFFFAOYSA-N
XLogP1.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine (CID 132578569) is N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine is CC(C)n1cnc2c(NCCN(C)C)nccc21.
What is the InChIKey of N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
The InChIKey is FHEPNTTYWYHVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)18-9-16-12-11(18)5-6-14-13(12)15-7-8-17(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,15).
What are the key properties of N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-propan-2-ylimidazo[4,5-c]pyridin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 132578569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).