N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine

C14H20N4 — CID 105187738

IUPACN-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1ccc(C)nc1
InChIInChI=1S/C14H20N4/c1-11-4-5-12(10-17-11)13(15-2)6-7-14-16-8-9-18(14)3/h4-5,8-10,13,15H,6-7H2,1-3H3
InChIKeyBLPJNECCRTXBPT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine

N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine (PubChem CID 105187738) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
PubChem CID105187738
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1ccc(C)nc1
InChIInChI=1S/C14H20N4/c1-11-4-5-12(10-17-11)13(15-2)6-7-14-16-8-9-18(14)3/h4-5,8-10,13,15H,6-7H2,1-3H3
InChIKeyBLPJNECCRTXBPT-UHFFFAOYSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine (CID 105187738) is N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine is CNC(CCc1nccn1C)c1ccc(C)nc1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is BLPJNECCRTXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-4-5-12(10-17-11)13(15-2)6-7-14-16-8-9-18(14)3/h4-5,8-10,13,15H,6-7H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 105187738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).