ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide

C14H24N2 — CID 155574635

IUPACethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide
SMILESCC.CC.[H]/N=C/N=C1\C=C(C)C=C\C1=C\C
InChIInChI=1S/C10H12N2.2C2H6/c1-3-9-5-4-8(2)6-10(9)12-7-11;2*1-2/h3-7,11H,1-2H3;2*1-2H3/b9-3-,11-7+,12-10+;;
InChIKeyXDYCGZNDDPZUGS-YDNZRYQCSA-N
MW220.36 g/mol
LogP4.55
Rot. Bonds1

About ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide

ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide (PubChem CID 155574635) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide.

Molecular Properties

Compound Nameethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide
PubChem CID155574635
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide
SMILESCC.CC.[H]/N=C/N=C1\C=C(C)C=C\C1=C\C
InChIInChI=1S/C10H12N2.2C2H6/c1-3-9-5-4-8(2)6-10(9)12-7-11;2*1-2/h3-7,11H,1-2H3;2*1-2H3/b9-3-,11-7+,12-10+;;
InChIKeyXDYCGZNDDPZUGS-YDNZRYQCSA-N
XLogP4.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide?
The IUPAC name of ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide (CID 155574635) is ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide.
What is the SMILES notation for ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide?
The canonical SMILES for ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide is CC.CC.[H]/N=C/N=C1\C=C(C)C=C\C1=C\C.
What is the InChIKey of ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide?
The InChIKey is XDYCGZNDDPZUGS-YDNZRYQCSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-3-9-5-4-8(2)6-10(9)12-7-11;2*1-2/h3-7,11H,1-2H3;2*1-2H3/b9-3-,11-7+,12-10+;;.
What are the key properties of ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide?
ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide has a molecular weight of 220.36 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(6Z)-6-ethylidene-3-methylcyclohexa-2,4-dien-1-ylidene]methanimidamide is sourced from PubChem (CID 155574635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).