2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine

C12H22N4O — CID 112754535

IUPAC2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine
SMILESCOC(C)CN(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H22N4O/c1-9(17-3)6-16(2)7-10-4-11-12(5-13-10)15-8-14-11/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeySPOYTBDSLVPNCV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.39
Rot. Bonds5

About 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine

2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine (PubChem CID 112754535) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine
PubChem CID112754535
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine
SMILESCOC(C)CN(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H22N4O/c1-9(17-3)6-16(2)7-10-4-11-12(5-13-10)15-8-14-11/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeySPOYTBDSLVPNCV-UHFFFAOYSA-N
XLogP0.39
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10399973, Example 24
CID 58408394
US10399973, Example 19
CID 58408398
1-[4-[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 50974060
6-methyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 162342543
(4S)-4-[1-(2-methoxyethyl)piperidin-4-yl]-5-(2-methylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95729770
(5R)-3-ethyl-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-4,5-dihydro-1,2-oxazole
CID 129607878
6-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 68873241
6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 79353022
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)ethanamine
CID 79353662
2,2,2-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)ethanamine
CID 79353796
3,3,3-trifluoro-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine
CID 79359452
3,3,3-trifluoro-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine
CID 79360108

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine (CID 112754535) is 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine is COC(C)CN(C)CC1Cc2nc[nH]c2CN1.
What is the InChIKey of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine?
The InChIKey is SPOYTBDSLVPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(17-3)6-16(2)7-10-4-11-12(5-13-10)15-8-14-11/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine?
2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 112754535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).