N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine

C16H30N4 — CID 64857107

IUPACN,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine
SMILESCCN(CC)CCCC(C)n1c(C)nc2c1CCNC2
InChIInChI=1S/C16H30N4/c1-5-19(6-2)11-7-8-13(3)20-14(4)18-15-12-17-10-9-16(15)20/h13,17H,5-12H2,1-4H3
InChIKeyIVAKLHKTOBTBJW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.52
Rot. Bonds7

About N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine

N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine (PubChem CID 64857107) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine
PubChem CID64857107
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine
SMILESCCN(CC)CCCC(C)n1c(C)nc2c1CCNC2
InChIInChI=1S/C16H30N4/c1-5-19(6-2)11-7-8-13(3)20-14(4)18-15-12-17-10-9-16(15)20/h13,17H,5-12H2,1-4H3
InChIKeyIVAKLHKTOBTBJW-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine?
The IUPAC name of N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine (CID 64857107) is N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine.
What is the SMILES notation for N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine?
The canonical SMILES for N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine is CCN(CC)CCCC(C)n1c(C)nc2c1CCNC2.
What is the InChIKey of N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine?
The InChIKey is IVAKLHKTOBTBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-19(6-2)11-7-8-13(3)20-14(4)18-15-12-17-10-9-16(15)20/h13,17H,5-12H2,1-4H3.
What are the key properties of N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine?
N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)pentan-1-amine is sourced from PubChem (CID 64857107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).