N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine

C10H20N4 — CID 63015144

IUPACN',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCC(CN)CN(C)Cc1nccn1C
InChIInChI=1S/C10H20N4/c1-9(6-11)7-13(2)8-10-12-4-5-14(10)3/h4-5,9H,6-8,11H2,1-3H3
InChIKeyVREBQHHFXHMTBV-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.45
Rot. Bonds5

About N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 63015144) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID63015144
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCC(CN)CN(C)Cc1nccn1C
InChIInChI=1S/C10H20N4/c1-9(6-11)7-13(2)8-10-12-4-5-14(10)3/h4-5,9H,6-8,11H2,1-3H3
InChIKeyVREBQHHFXHMTBV-UHFFFAOYSA-N
XLogP0.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013801
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116679986
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (CID 63015144) is N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is CC(CN)CN(C)Cc1nccn1C.
What is the InChIKey of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is VREBQHHFXHMTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(6-11)7-13(2)8-10-12-4-5-14(10)3/h4-5,9H,6-8,11H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63015144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).