3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine

C14H24N4 — CID 163940883

IUPAC3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCCC1=CC(N)=CC(CC)C1NC1=NCCN1C
InChIInChI=1S/C14H24N4/c1-4-10-8-12(15)9-11(5-2)13(10)17-14-16-6-7-18(14)3/h8-10,13H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyRQWBLIQFENBXKR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.46
Rot. Bonds3

About 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine

3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 163940883) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID163940883
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine
SMILESCCC1=CC(N)=CC(CC)C1NC1=NCCN1C
InChIInChI=1S/C14H24N4/c1-4-10-8-12(15)9-11(5-2)13(10)17-14-16-6-7-18(14)3/h8-10,13H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyRQWBLIQFENBXKR-UHFFFAOYSA-N
XLogP1.46
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine
CID 142663098
3,5-Diethyl-4-[(1-methylimidazolidin-3-ium-2-ylidene)amino]cyclohexa-1,5-dien-1-amine
CID 163940882
1-(4-Aminocyclohex-2-en-1-yl)-2-[6-(4-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-2-yl]guanidine
CID 173890090

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine (CID 163940883) is 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine is CCC1=CC(N)=CC(CC)C1NC1=NCCN1C.
What is the InChIKey of 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is RQWBLIQFENBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-10-8-12(15)9-11(5-2)13(10)17-14-16-6-7-18(14)3/h8-10,13H,4-7,15H2,1-3H3,(H,16,17).
What are the key properties of 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine?
3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-N-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 163940883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).