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

C16H30N4 — CID 64858349

IUPAC4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCCc1nc2c(n1CCCCN(C)C(C)C)CCNC2
InChIInChI=1S/C16H30N4/c1-5-16-18-14-12-17-9-8-15(14)20(16)11-7-6-10-19(4)13(2)3/h13,17H,5-12H2,1-4H3
InChIKeyBSSVKZXSHIYXNI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.21
Rot. Bonds7

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

4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64858349) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64858349
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCCc1nc2c(n1CCCCN(C)C(C)C)CCNC2
InChIInChI=1S/C16H30N4/c1-5-16-18-14-12-17-9-8-15(14)20(16)11-7-6-10-19(4)13(2)3/h13,17H,5-12H2,1-4H3
InChIKeyBSSVKZXSHIYXNI-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine (CID 64858349) is 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine is CCc1nc2c(n1CCCCN(C)C(C)C)CCNC2.
What is the InChIKey of 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is BSSVKZXSHIYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-16-18-14-12-17-9-8-15(14)20(16)11-7-6-10-19(4)13(2)3/h13,17H,5-12H2,1-4H3.
What are the key properties of 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64858349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).