N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine

C17H32N4 — CID 106052981

IUPACN-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)Cc1nc2c(n1CCCN(C)C(C)C)CCNC2
InChIInChI=1S/C17H32N4/c1-13(2)11-17-19-15-12-18-8-7-16(15)21(17)10-6-9-20(5)14(3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyKMQJLTXJFCJVFH-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.46
Rot. Bonds7

About N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine

N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 106052981) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine
PubChem CID106052981
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)Cc1nc2c(n1CCCN(C)C(C)C)CCNC2
InChIInChI=1S/C17H32N4/c1-13(2)11-17-19-15-12-18-8-7-16(15)21(17)10-6-9-20(5)14(3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyKMQJLTXJFCJVFH-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine (CID 106052981) is N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine is CC(C)Cc1nc2c(n1CCCN(C)C(C)C)CCNC2.
What is the InChIKey of N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is KMQJLTXJFCJVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)11-17-19-15-12-18-8-7-16(15)21(17)10-6-9-20(5)14(3)4/h13-14,18H,6-12H2,1-5H3.
What are the key properties of N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine?
N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106052981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).