2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine

C14H24N4 — CID 92533713

IUPAC2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine
SMILESCC1=C(/C=C\C(C)=N\N=C(N)N)C(C)(C)CCC1
InChIInChI=1S/C14H24N4/c1-10-6-5-9-14(3,4)12(10)8-7-11(2)17-18-13(15)16/h7-8H,5-6,9H2,1-4H3,(H4,15,16,18)/b8-7-,17-11+
InChIKeyZEWDNOFNNKZKDB-IOERDVGBSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds3

About 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine

2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine (PubChem CID 92533713) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine
PubChem CID92533713
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine
SMILESCC1=C(/C=C\C(C)=N\N=C(N)N)C(C)(C)CCC1
InChIInChI=1S/C14H24N4/c1-10-6-5-9-14(3,4)12(10)8-7-11(2)17-18-13(15)16/h7-8H,5-6,9H2,1-4H3,(H4,15,16,18)/b8-7-,17-11+
InChIKeyZEWDNOFNNKZKDB-IOERDVGBSA-N
XLogP2.72
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylideneamino]thiourea
CID 3286029
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
carbon monoxide;iron;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 11759358
sodium;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one;acetate
CID 70627257
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine
CID 146240318
pyrazine;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 67566143
(E,E)-N-prop-2-ynoxy-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-imine
CID 10681820
1,3,3-trimethyl-2-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 54612003
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine (CID 92533713) is 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine is CC1=C(/C=C\C(C)=N\N=C(N)N)C(C)(C)CCC1.
What is the InChIKey of 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine?
The InChIKey is ZEWDNOFNNKZKDB-IOERDVGBSA-N. The full InChI is InChI=1S/C14H24N4/c1-10-6-5-9-14(3,4)12(10)8-7-11(2)17-18-13(15)16/h7-8H,5-6,9H2,1-4H3,(H4,15,16,18)/b8-7-,17-11+.
What are the key properties of 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine?
2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine has a molecular weight of 248.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine is sourced from PubChem (CID 92533713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).