1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine

C12H24N4 — CID 114530623

IUPAC1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
SMILESCNC(CCc1nccn1C)CCN(C)C
InChIInChI=1S/C12H24N4/c1-13-11(7-9-15(2)3)5-6-12-14-8-10-16(12)4/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyOLJYCNJMJUWJRS-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.89
Rot. Bonds7

About 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine

1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine (PubChem CID 114530623) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
PubChem CID114530623
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
SMILESCNC(CCc1nccn1C)CCN(C)C
InChIInChI=1S/C12H24N4/c1-13-11(7-9-15(2)3)5-6-12-14-8-10-16(12)4/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyOLJYCNJMJUWJRS-UHFFFAOYSA-N
XLogP0.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
N,4-dimethyl-6-(1-methylimidazol-2-yl)hexan-2-amine
CID 114532144
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
1-(1-methylimidazol-2-yl)hex-5-en-3-ylhydrazine
CID 105269747
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine (CID 114530623) is 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine is CNC(CCc1nccn1C)CCN(C)C.
What is the InChIKey of 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine?
The InChIKey is OLJYCNJMJUWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-13-11(7-9-15(2)3)5-6-12-14-8-10-16(12)4/h8,10-11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine?
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 114530623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).