N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine

C12H16N4 — CID 114957819

IUPACN-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
SMILESCNCc1cncn1Cc1cnccc1C
InChIInChI=1S/C12H16N4/c1-10-3-4-14-5-11(10)8-16-9-15-7-12(16)6-13-2/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyMQMLTVHIMQLPNV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.35
Rot. Bonds4

About N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine

N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine (PubChem CID 114957819) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
PubChem CID114957819
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
SMILESCNCc1cncn1Cc1cnccc1C
InChIInChI=1S/C12H16N4/c1-10-3-4-14-5-11(10)8-16-9-15-7-12(16)6-13-2/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyMQMLTVHIMQLPNV-UHFFFAOYSA-N
XLogP1.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
N-methyl-1-[3-(pyridin-2-ylmethyl)imidazol-4-yl]methanamine
CID 66147540
N-methyl-1-[(4-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106583356
1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149526
N-methyl-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]methanamine
CID 66150778
N-ethyl-N-methyl-2-[5-(methylaminomethyl)imidazol-1-yl]ethanamine
CID 66149923
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
N-methyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272321
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
5-methyl-3-[(4-methyl-3-pyridinyl)methyl]-1H-imidazole-2-thione
CID 114957165
1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
CID 103466374

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine (CID 114957819) is N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine is CNCc1cncn1Cc1cnccc1C.
What is the InChIKey of N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is MQMLTVHIMQLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-3-4-14-5-11(10)8-16-9-15-7-12(16)6-13-2/h3-5,7,9,13H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine?
N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 114957819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).