1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine

C20H28N2 — CID 90895242

IUPAC1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine
SMILESC=C(C)[C@@H]1CC=C(C=NN=CC2=CC[C@@H](C(=C)C)CC2)CC1
InChIInChI=1S/C20H28N2/c1-15(2)19-9-5-17(6-10-19)13-21-22-14-18-7-11-20(12-8-18)16(3)4/h5,7,13-14,19-20H,1,3,6,8-12H2,2,4H3/t19-,20-/m1/s1
InChIKeySRZSCWRPNPXZOA-WOJBJXKFSA-N
MW296.46 g/mol
LogP5.65
Rot. Bonds5

About 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine

1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine (PubChem CID 90895242) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine
PubChem CID90895242
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine
SMILESC=C(C)[C@@H]1CC=C(C=NN=CC2=CC[C@@H](C(=C)C)CC2)CC1
InChIInChI=1S/C20H28N2/c1-15(2)19-9-5-17(6-10-19)13-21-22-14-18-7-11-20(12-8-18)16(3)4/h5,7,13-14,19-20H,1,3,6,8-12H2,2,4H3/t19-,20-/m1/s1
InChIKeySRZSCWRPNPXZOA-WOJBJXKFSA-N
XLogP5.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine with MolForge

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Related Compounds

(6S)-8-diazo-2,6-dimethyloct-2-ene
CID 72722697
4-(1-Methylvinyl)cyclohexene-1-carbaldehyde oxime
CID 139077211
(s)-Perillaldehyde azine
CID 139078402
(Z)-N-[(Z)-(3,5-dimethylcyclohex-2-en-1-ylidene)amino]-3,5-dimethylcyclohex-2-en-1-imine
CID 22824294
N-[(3,5-dimethylcyclohex-2-en-1-ylidene)amino]-3,5-dimethylcyclohex-2-en-1-imine
CID 56639224
(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine
CID 123416111
(2Z)-2-ethylidene-N,3-dimethylheptan-1-imine
CID 129194089
4a,5,6,7-Tetrahydrophthalazine
CID 141990701
(4-Methylcyclohexen-1-yl)methanimine
CID 142058234
(4-Methylcyclohexen-1-yl)methylideneazanium
CID 143193750
[(4R)-4-ethylcyclohexen-1-yl]methanimine
CID 145337918
2-(Cyclohexylmethylidene)propane-1,3-diimine
CID 145844579

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
The IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine (CID 90895242) is 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine.
What is the SMILES notation for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
The canonical SMILES for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine is C=C(C)[C@@H]1CC=C(C=NN=CC2=CC[C@@H](C(=C)C)CC2)CC1.
What is the InChIKey of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
The InChIKey is SRZSCWRPNPXZOA-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H28N2/c1-15(2)19-9-5-17(6-10-19)13-21-22-14-18-7-11-20(12-8-18)16(3)4/h5,7,13-14,19-20H,1,3,6,8-12H2,2,4H3/t19-,20-/m1/s1.
What are the key properties of 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine?
1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine has a molecular weight of 296.46 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]methanimine is sourced from PubChem (CID 90895242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).