6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine

C18H25N3 — CID 123692248

IUPAC6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
SMILESC=C(C=C(C)C)N(C)C1=C(CC)CC=c2ncn(C)c2=C1
InChIInChI=1S/C18H25N3/c1-7-15-8-9-16-18(20(5)12-19-16)11-17(15)21(6)14(4)10-13(2)3/h9-12H,4,7-8H2,1-3,5-6H3
InChIKeyJBPZWQNGISLJIH-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.46
Rot. Bonds4

About 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine

6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine (PubChem CID 123692248) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine.

Molecular Properties

Compound Name6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
PubChem CID123692248
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
SMILESC=C(C=C(C)C)N(C)C1=C(CC)CC=c2ncn(C)c2=C1
InChIInChI=1S/C18H25N3/c1-7-15-8-9-16-18(20(5)12-19-16)11-17(15)21(6)14(4)10-13(2)3/h9-12H,4,7-8H2,1-3,5-6H3
InChIKeyJBPZWQNGISLJIH-UHFFFAOYSA-N
XLogP2.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
CID 176685557
4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685572
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
CID 123707000
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
CID 123904557
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
CID 134239526
1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole
CID 134288755
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
CID 142991698
1,4-Dimethyl-5,6-dihydrobenzimidazole;ethane
CID 144237869
1,4-Dimethyl-5,6-dihydrobenzimidazole
CID 144237870
1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
CID 144897685
ethane;3-methyl-7H-cyclohepta[d]imidazole
CID 145207331

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine?
The IUPAC name of 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine (CID 123692248) is 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine.
What is the SMILES notation for 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine?
The canonical SMILES for 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine is C=C(C=C(C)C)N(C)C1=C(CC)CC=c2ncn(C)c2=C1.
What is the InChIKey of 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine?
The InChIKey is JBPZWQNGISLJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-7-15-8-9-16-18(20(5)12-19-16)11-17(15)21(6)14(4)10-13(2)3/h9-12H,4,7-8H2,1-3,5-6H3.
What are the key properties of 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine?
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine has a molecular weight of 283.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine is sourced from PubChem (CID 123692248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).