6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine

C18H27N3 — CID 123707000

IUPAC6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
SMILESCC=C(CCC)N(C)C1=C(CC)CC=c2ncn(C)c2=C1
InChIInChI=1S/C18H27N3/c1-6-9-15(8-3)21(5)17-12-18-16(19-13-20(18)4)11-10-14(17)7-2/h8,11-13H,6-7,9-10H2,1-5H3
InChIKeyBXNVPBUAYBFIEE-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.68
Rot. Bonds5

About 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine

6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine (PubChem CID 123707000) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine.

Molecular Properties

Compound Name6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
PubChem CID123707000
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
SMILESCC=C(CCC)N(C)C1=C(CC)CC=c2ncn(C)c2=C1
InChIInChI=1S/C18H27N3/c1-6-9-15(8-3)21(5)17-12-18-16(19-13-20(18)4)11-10-14(17)7-2/h8,11-13H,6-7,9-10H2,1-5H3
InChIKeyBXNVPBUAYBFIEE-UHFFFAOYSA-N
XLogP2.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
CID 176685557
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
CID 123904557
1-Butyl-5-methyl-3a,4-dihydrobenzimidazole
CID 134239411
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
(6S)-N,N-dibutyl-1,5,6,7-tetrahydrocyclohepta[d]imidazol-6-amine
CID 135292429
6-Methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
CID 139297563
1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
CID 144897685
1,4-dimethyl-7H-cyclohepta[d]imidazole
CID 144897686

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine?
The IUPAC name of 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine (CID 123707000) is 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine.
What is the SMILES notation for 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine?
The canonical SMILES for 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine is CC=C(CCC)N(C)C1=C(CC)CC=c2ncn(C)c2=C1.
What is the InChIKey of 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine?
The InChIKey is BXNVPBUAYBFIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-9-15(8-3)21(5)17-12-18-16(19-13-20(18)4)11-10-14(17)7-2/h8,11-13H,6-7,9-10H2,1-5H3.
What are the key properties of 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine?
6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine is sourced from PubChem (CID 123707000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).