(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine

C14H20N2 — CID 130316176

IUPAC(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine
SMILESC=C/C=C1/C=CC(N(C)/N=C\C)C/C1=C/C
InChIInChI=1S/C14H20N2/c1-5-8-13-9-10-14(11-12(13)6-2)16(4)15-7-3/h5-10,14H,1,11H2,2-4H3/b12-6-,13-8-,15-7-
InChIKeyPOFYLZBMFKYOPL-WKZPFLGBSA-N
MW216.33 g/mol
LogP3.31
Rot. Bonds3

About (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine

(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine (PubChem CID 130316176) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine.

Molecular Properties

Compound Name(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine
PubChem CID130316176
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine
SMILESC=C/C=C1/C=CC(N(C)/N=C\C)C/C1=C/C
InChIInChI=1S/C14H20N2/c1-5-8-13-9-10-14(11-12(13)6-2)16(4)15-7-3/h5-10,14H,1,11H2,2-4H3/b12-6-,13-8-,15-7-
InChIKeyPOFYLZBMFKYOPL-WKZPFLGBSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine?
The IUPAC name of (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine (CID 130316176) is (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine.
What is the SMILES notation for (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine?
The canonical SMILES for (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine is C=C/C=C1/C=CC(N(C)/N=C\C)C/C1=C/C.
What is the InChIKey of (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine?
The InChIKey is POFYLZBMFKYOPL-WKZPFLGBSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-8-13-9-10-14(11-12(13)6-2)16(4)15-7-3/h5-10,14H,1,11H2,2-4H3/b12-6-,13-8-,15-7-.
What are the key properties of (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine?
(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine is sourced from PubChem (CID 130316176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).