2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

C13H21N5 — CID 66149320

IUPAC2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1Cc1nccn1C
InChIInChI=1S/C13H21N5/c1-11(2)6-14-7-12-8-15-10-18(12)9-13-16-4-5-17(13)3/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyAMSMVFIXNPDSJA-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.41
Rot. Bonds6

About 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66149320) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID66149320
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1Cc1nccn1C
InChIInChI=1S/C13H21N5/c1-11(2)6-14-7-12-8-15-10-18(12)9-13-16-4-5-17(13)3/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyAMSMVFIXNPDSJA-UHFFFAOYSA-N
XLogP1.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106302295
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79238144
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 114532070
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 66149320) is 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1Cc1nccn1C.
What is the InChIKey of 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is AMSMVFIXNPDSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11(2)6-14-7-12-8-15-10-18(12)9-13-16-4-5-17(13)3/h4-5,8,10-11,14H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66149320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).