2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H27N3O — CID 64856419

IUPAC2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCOCCn1c(C2CC2)nc2c1CCNC2
InChIInChI=1S/C16H27N3O/c1-12(2)6-9-20-10-8-19-15-5-7-17-11-14(15)18-16(19)13-3-4-13/h12-13,17H,3-11H2,1-2H3
InChIKeyWVQJLKLSBNZDRU-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds7

About 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856419) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856419
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCOCCn1c(C2CC2)nc2c1CCNC2
InChIInChI=1S/C16H27N3O/c1-12(2)6-9-20-10-8-19-15-5-7-17-11-14(15)18-16(19)13-3-4-13/h12-13,17H,3-11H2,1-2H3
InChIKeyWVQJLKLSBNZDRU-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
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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Related Compounds

N-[2-(2-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]-N-methylpropan-2-amine
CID 64858708
3-(2-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)-N-methyl-N-propan-2-ylpropan-1-amine
CID 106052983
1-butyl-2-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858865
2-cyclopropyl-1-(3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857561
N-butan-2-yl-3-(2-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propanamide
CID 64858757
2-cyclopropyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857490
2-(2-cyclohexyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl carbamate
CID 83206279
2-cyclopentyl-1-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856436
2-cyclopropyl-1-[(1-methylpiperidin-2-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858154
2-cyclopentyl-1-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856637
2-cyclopropyl-1-(2-ethylhexyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 107818392
2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858333

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856419) is 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)CCOCCn1c(C2CC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WVQJLKLSBNZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)6-9-20-10-8-19-15-5-7-17-11-14(15)18-16(19)13-3-4-13/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 277.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(3-methylbutoxy)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).