4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine

C11H15N — CID 90699034

IUPAC4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine
SMILESCCNC1C=CC(C2C=C2)=CC1
InChIInChI=1S/C11H15N/c1-2-12-11-7-5-10(6-8-11)9-3-4-9/h3-7,9,11-12H,2,8H2,1H3
InChIKeyMMSIBIBOHYEZKL-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.04
Rot. Bonds3

About 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine

4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 90699034) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine
PubChem CID90699034
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine
SMILESCCNC1C=CC(C2C=C2)=CC1
InChIInChI=1S/C11H15N/c1-2-12-11-7-5-10(6-8-11)9-3-4-9/h3-7,9,11-12H,2,8H2,1H3
InChIKeyMMSIBIBOHYEZKL-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine
CID 118889336
N-[4-(1-aminoethyl)-6-(fluoromethyl)cyclohexa-2,4-dien-1-yl]-N',N'-diethylethane-1,2-diamine
CID 129289920
2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
CID 142875853
5-Ethenyl-4-(1-fluoroethenyl)-6-methyl-1,2,3,6-tetrahydropyridine
CID 143839490
N-[[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]methyl]cyclopropanamine
CID 145011942
4-fluoro-6-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 166888372
(6Z)-6-ethylidene-3-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
CID 169926760
(2S,6S)-6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 55302316
N-(1-phenylethyl)propan-2-amine;rutherfordium
CID 134973086
(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;bis(yttrium)
CID 135038498
(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine
CID 139250145

Frequently Asked Questions

What is the IUPAC name of 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine (CID 90699034) is 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine is CCNC1C=CC(C2C=C2)=CC1.
What is the InChIKey of 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is MMSIBIBOHYEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-12-11-7-5-10(6-8-11)9-3-4-9/h3-7,9,11-12H,2,8H2,1H3.
What are the key properties of 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine?
4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloprop-2-en-1-yl-N-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 90699034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).