ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine

C10H22N4 — CID 155737124

IUPACethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
SMILESCC.Cc1nccn1CCCNCN
InChIInChI=1S/C8H16N4.C2H6/c1-8-11-4-6-12(8)5-2-3-10-7-9;1-2/h4,6,10H,2-3,5,7,9H2,1H3;1-2H3
InChIKeyOOGMXYOFXQAEIG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.11
Rot. Bonds5

About ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine

ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine (PubChem CID 155737124) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine.

Molecular Properties

Compound Nameethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
PubChem CID155737124
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Nameethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
SMILESCC.Cc1nccn1CCCNCN
InChIInChI=1S/C8H16N4.C2H6/c1-8-11-4-6-12(8)5-2-3-10-7-9;1-2/h4,6,10H,2-3,5,7,9H2,1H3;1-2H3
InChIKeyOOGMXYOFXQAEIG-UHFFFAOYSA-N
XLogP1.11
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
N-[(4-chlorophenyl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 19429371
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
(6S)-2,6-dimethyl-8-[3-(2-methylimidazol-1-yl)propylamino]octan-2-ol
CID 92861415
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine?
The IUPAC name of ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine (CID 155737124) is ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine.
What is the SMILES notation for ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine?
The canonical SMILES for ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine is CC.Cc1nccn1CCCNCN.
What is the InChIKey of ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine?
The InChIKey is OOGMXYOFXQAEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4.C2H6/c1-8-11-4-6-12(8)5-2-3-10-7-9;1-2/h4,6,10H,2-3,5,7,9H2,1H3;1-2H3.
What are the key properties of ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine?
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine has a molecular weight of 198.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine is sourced from PubChem (CID 155737124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).