N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine

C12H22N4 — CID 50955445

IUPACN-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine
SMILESCCN(CC)CC1(C)NCCc2[nH]cnc21
InChIInChI=1S/C12H22N4/c1-4-16(5-2)8-12(3)11-10(6-7-15-12)13-9-14-11/h9,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyWXQTXMCDQNWCMK-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.11
Rot. Bonds4

About N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine

N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine (PubChem CID 50955445) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine
PubChem CID50955445
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine
SMILESCCN(CC)CC1(C)NCCc2[nH]cnc21
InChIInChI=1S/C12H22N4/c1-4-16(5-2)8-12(3)11-10(6-7-15-12)13-9-14-11/h9,15H,4-8H2,1-3H3,(H,13,14)
InChIKeyWXQTXMCDQNWCMK-UHFFFAOYSA-N
XLogP1.11
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine with MolForge

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Related Compounds

3',5',6',7'-Tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]
CID 12397494
1-{3,5,6,7-Tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl}ethan-1-one
CID 12397504
1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 929096
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 16418004
2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 45789992
tert-butyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxylate
CID 57481540
3-methyl-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 75537372
N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
CID 14712111
1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 86283435
Spinaceamine
CID 410112
1-{1H,4H,5H,6H,7H-Imidazo[4,5-C]pyridin-5-YL}-3-methylbutan-1-one
CID 53145211
4-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 588687

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine (CID 50955445) is N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine is CCN(CC)CC1(C)NCCc2[nH]cnc21.
What is the InChIKey of N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine?
The InChIKey is WXQTXMCDQNWCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-16(5-2)8-12(3)11-10(6-7-15-12)13-9-14-11/h9,15H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine?
N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)methyl]ethanamine is sourced from PubChem (CID 50955445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).