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

C9H18N4 — CID 63014615

IUPAC2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1nccn1C
InChIInChI=1S/C9H18N4/c1-8(6-10)13(3)7-9-11-4-5-12(9)2/h4-5,8H,6-7,10H2,1-3H3
InChIKeyOTTZDVLMCRWCKC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.20
Rot. Bonds4

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

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (PubChem CID 63014615) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
PubChem CID63014615
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1nccn1C
InChIInChI=1S/C9H18N4/c1-8(6-10)13(3)7-9-11-4-5-12(9)2/h4-5,8H,6-7,10H2,1-3H3
InChIKeyOTTZDVLMCRWCKC-UHFFFAOYSA-N
XLogP0.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine
CID 120840373
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
CID 81342939
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
1-N-(3-methoxypropyl)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63024687
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013919

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (CID 63014615) is 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is CC(CN)N(C)Cc1nccn1C.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The InChIKey is OTTZDVLMCRWCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(6-10)13(3)7-9-11-4-5-12(9)2/h4-5,8H,6-7,10H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 63014615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).