2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine

C12H17N5 — CID 104740060

IUPAC2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
SMILESCN(Cc1ncccc1N)Cc1nccn1C
InChIInChI=1S/C12H17N5/c1-16(9-12-15-6-7-17(12)2)8-11-10(13)4-3-5-14-11/h3-7H,8-9,13H2,1-2H3
InChIKeyAIPUBIZOHZJLEH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.03
Rot. Bonds4

About 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine (PubChem CID 104740060) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
PubChem CID104740060
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
SMILESCN(Cc1ncccc1N)Cc1nccn1C
InChIInChI=1S/C12H17N5/c1-16(9-12-15-6-7-17(12)2)8-11-10(13)4-3-5-14-11/h3-7H,8-9,13H2,1-2H3
InChIKeyAIPUBIZOHZJLEH-UHFFFAOYSA-N
XLogP1.03
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447401
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792
7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63014602

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine (CID 104740060) is 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine is CN(Cc1ncccc1N)Cc1nccn1C.
What is the InChIKey of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine?
The InChIKey is AIPUBIZOHZJLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(9-12-15-6-7-17(12)2)8-11-10(13)4-3-5-14-11/h3-7H,8-9,13H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine?
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine has a molecular weight of 231.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine is sourced from PubChem (CID 104740060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).