N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine

C10H18N4 — CID 77110593

IUPACN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
SMILESCN(CC=CCN)Cc1nccn1C
InChIInChI=1S/C10H18N4/c1-13(7-4-3-5-11)9-10-12-6-8-14(10)2/h3-4,6,8H,5,7,9,11H2,1-2H3
InChIKeyJTPBPDPURJVPCC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.37
Rot. Bonds5

About N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine

N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine (PubChem CID 77110593) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
PubChem CID77110593
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
SMILESCN(CC=CCN)Cc1nccn1C
InChIInChI=1S/C10H18N4/c1-13(7-4-3-5-11)9-10-12-6-8-14(10)2/h3-4,6,8H,5,7,9,11H2,1-2H3
InChIKeyJTPBPDPURJVPCC-UHFFFAOYSA-N
XLogP0.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]but-2-enoate
CID 80549034
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
[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
methyl 2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]but-2-enoate
CID 77074027
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine (CID 77110593) is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine is CN(CC=CCN)Cc1nccn1C.
What is the InChIKey of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine?
The InChIKey is JTPBPDPURJVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-13(7-4-3-5-11)9-10-12-6-8-14(10)2/h3-4,6,8H,5,7,9,11H2,1-2H3.
What are the key properties of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine?
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 77110593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).