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

C16H30N4 — CID 64858159

IUPACN,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
SMILESCC(C)c1nc2c(n1C(CN(C)C)C(C)C)CCNC2
InChIInChI=1S/C16H30N4/c1-11(2)15(10-19(5)6)20-14-7-8-17-9-13(14)18-16(20)12(3)4/h11-12,15,17H,7-10H2,1-6H3
InChIKeyHACKWNHATSUCAT-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds5

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

N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine (PubChem CID 64858159) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
PubChem CID64858159
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
SMILESCC(C)c1nc2c(n1C(CN(C)C)C(C)C)CCNC2
InChIInChI=1S/C16H30N4/c1-11(2)15(10-19(5)6)20-14-7-8-17-9-13(14)18-16(20)12(3)4/h11-12,15,17H,7-10H2,1-6H3
InChIKeyHACKWNHATSUCAT-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
The IUPAC name of N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine (CID 64858159) is N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
The canonical SMILES for N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine is CC(C)c1nc2c(n1C(CN(C)C)C(C)C)CCNC2.
What is the InChIKey of N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
The InChIKey is HACKWNHATSUCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-11(2)15(10-19(5)6)20-14-7-8-17-9-13(14)18-16(20)12(3)4/h11-12,15,17H,7-10H2,1-6H3.
What are the key properties of N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine?
N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-(2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 64858159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).