ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine

C9H17N3 — CID 144930582

IUPACethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
SMILESC/N=C1\N=CNC1=C(C)C.CC
InChIInChI=1S/C7H11N3.C2H6/c1-5(2)6-7(8-3)10-4-9-6;1-2/h4H,1-3H3,(H,8,9,10);1-2H3
InChIKeyAYRHBBZFZZJRGD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.97
Rot. Bonds

About ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine

ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine (PubChem CID 144930582) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Nameethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
PubChem CID144930582
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
SMILESC/N=C1\N=CNC1=C(C)C.CC
InChIInChI=1S/C7H11N3.C2H6/c1-5(2)6-7(8-3)10-4-9-6;1-2/h4H,1-3H3,(H,8,9,10);1-2H3
InChIKeyAYRHBBZFZZJRGD-UHFFFAOYSA-N
XLogP1.97
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-di(propan-2-ylidene)-1H-imidazole
CID 57564420
(E)-N-ethyl-3-(1-methyl-4,5-dihydroimidazol-2-yl)but-2-en-2-amine
CID 89577017
(E)-N-methyl-3-(1-methyl-4,5-dihydroimidazol-2-yl)but-2-en-2-amine
CID 89989454
[[4-(2,2-dimethylpropylimino)-1H-imidazol-5-ylidene]-(methylideneamino)methyl]-trimethylazanium
CID 137062053
ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen
CID 145371011
(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine
CID 156512404
(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen
CID 177134452
N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide
CID 143941987
N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine
CID 144930583
(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine
CID 177134453

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
The IUPAC name of ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine (CID 144930582) is ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine.
What is the SMILES notation for ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
The canonical SMILES for ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine is C/N=C1\N=CNC1=C(C)C.CC.
What is the InChIKey of ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
The InChIKey is AYRHBBZFZZJRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C2H6/c1-5(2)6-7(8-3)10-4-9-6;1-2/h4H,1-3H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine?
ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine has a molecular weight of 167.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-propan-2-ylidene-1H-imidazol-4-imine is sourced from PubChem (CID 144930582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).