ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide

C16H40N4 — CID 159981336

IUPACethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide
SMILESC.CC.CC.CC.CCC/N=C(\C)N.Cc1cnc[nH]1
InChIInChI=1S/C5H12N2.C4H6N2.3C2H6.CH4/c1-3-4-7-5(2)6;1-4-2-5-3-6-4;3*1-2;/h3-4H2,1-2H3,(H2,6,7);2-3H,1H3,(H,5,6);3*1-2H3;1H4
InChIKeyOFUQXZWLGLKYOC-UHFFFAOYSA-N
MW288.52 g/mol
LogP5.21
Rot. Bonds2

About ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide

ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide (PubChem CID 159981336) has the molecular formula C16H40N4 and a molecular weight of 288.52 g/mol. Its IUPAC name is ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide.

Molecular Properties

Compound Nameethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide
PubChem CID159981336
Molecular FormulaC16H40N4
Molecular Weight288.52 g/mol
Exact Mass288.33
IUPAC Nameethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide
SMILESC.CC.CC.CC.CCC/N=C(\C)N.Cc1cnc[nH]1
InChIInChI=1S/C5H12N2.C4H6N2.3C2H6.CH4/c1-3-4-7-5(2)6;1-4-2-5-3-6-4;3*1-2;/h3-4H2,1-2H3,(H2,6,7);2-3H,1H3,(H,5,6);3*1-2H3;1H4
InChIKeyOFUQXZWLGLKYOC-UHFFFAOYSA-N
XLogP5.21
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hydroxylamine;5-methyl-1H-imidazole
CID 142408820
ethane;N'-propylethanimidamide
CID 156797871
methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole
CID 162271668
N'-butylethanimidamide;5-ethyl-1H-imidazole
CID 157251840
1-bromopropan-2-one;5-methyl-1H-imidazole
CID 157112704
1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole
CID 142604256
N,N-dimethylbutan-1-amine;5-methyl-1H-imidazole
CID 144593891
N'-[(5S)-6,7-dihydroxy-7-(1H-imidazol-5-yl)-5-methylheptyl]ethanimidamide
CID 54486472
1-ethylimidazole;5-methyl-1H-imidazole
CID 159971219
1-(1H-imidazol-5-yl)-N-propylmethanimine
CID 135966105
5-methyl-1H-imidazole;5-methyl-3H-pyrrole
CID 160657392
4-methyl-N'-propylpyridine-3-carboximidamide
CID 114878884

Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide?
The IUPAC name of ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide (CID 159981336) is ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide.
What is the SMILES notation for ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide?
The canonical SMILES for ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide is C.CC.CC.CC.CCC/N=C(\C)N.Cc1cnc[nH]1.
What is the InChIKey of ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide?
The InChIKey is OFUQXZWLGLKYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C4H6N2.3C2H6.CH4/c1-3-4-7-5(2)6;1-4-2-5-3-6-4;3*1-2;/h3-4H2,1-2H3,(H2,6,7);2-3H,1H3,(H,5,6);3*1-2H3;1H4.
What are the key properties of ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide?
ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide has a molecular weight of 288.52 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide is sourced from PubChem (CID 159981336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).