1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine

C13H22N2 — CID 155720872

IUPAC1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine
SMILESC=C/N=C(\CC)C1=CCC(CNC)CC1
InChIInChI=1S/C13H22N2/c1-4-13(15-5-2)12-8-6-11(7-9-12)10-14-3/h5,8,11,14H,2,4,6-7,9-10H2,1,3H3/b15-13+
InChIKeyCVZADFDKVGGEFM-FYWRMAATSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds5

About 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine

1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine (PubChem CID 155720872) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine
PubChem CID155720872
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine
SMILESC=C/N=C(\CC)C1=CCC(CNC)CC1
InChIInChI=1S/C13H22N2/c1-4-13(15-5-2)12-8-6-11(7-9-12)10-14-3/h5,8,11,14H,2,4,6-7,9-10H2,1,3H3/b15-13+
InChIKeyCVZADFDKVGGEFM-FYWRMAATSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexahydroazepinoindole
CID 66689195
(E)-N-but-1-en-2-yl-5-(3-fluoro-5-imino-4-propanimidoylcyclohexa-1,3-dien-1-yl)hex-1-en-1-amine
CID 135233214
(1E,4E)-2-[(3R)-4-[(2,6-dimethyl-4H-azepin-7-yl)methyl]-2,3-dihydro-1H-pyrrol-3-yl]-5-fluoropenta-1,4-dien-1-amine
CID 173784439
N-(cyclopropylmethyl)-2-(7-methyl-7H-indol-3-yl)ethanamine
CID 67232441
(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
CID 89188331
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
CID 89271099
[1-[4-(Ethylamino)cyclohex-3-en-1-yl]-4-methylpentan-3-ylidene]-methyl-(4-methylpent-1-en-2-yl)azanium
CID 123249569
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
CID 123370701
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine
CID 123574938
[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine
CID 123613652
N-[2-[(5Z)-6-ethyl-5-prop-2-enylidene-4H-pyridin-3-yl]-2-imino-1-(3-methylcycloheptyl)ethyl]-2-methylhex-4-en-1-amine
CID 123967000

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine (CID 155720872) is 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine is C=C/N=C(\CC)C1=CCC(CNC)CC1.
What is the InChIKey of 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
The InChIKey is CVZADFDKVGGEFM-FYWRMAATSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-13(15-5-2)12-8-6-11(7-9-12)10-14-3/h5,8,11,14H,2,4,6-7,9-10H2,1,3H3/b15-13+.
What are the key properties of 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine is sourced from PubChem (CID 155720872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).