N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide

C20H34N4 — CID 142228723

IUPACN'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide
SMILESC/C=C\C=C(/C=C\C)NC(=N/CC1CCCCC1)/N=C(\C)N(C)C
InChIInChI=1S/C20H34N4/c1-6-8-15-19(12-7-2)23-20(22-17(3)24(4)5)21-16-18-13-10-9-11-14-18/h6-8,12,15,18H,9-11,13-14,16H2,1-5H3,(H,21,23)/b8-6-,12-7-,19-15+,22-17+
InChIKeyXQHRTTSIVIUDKB-QNCCDVAUSA-N
MW330.52 g/mol
LogP4.53
Rot. Bonds5

About N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide

N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide (PubChem CID 142228723) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide
PubChem CID142228723
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC NameN'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide
SMILESC/C=C\C=C(/C=C\C)NC(=N/CC1CCCCC1)/N=C(\C)N(C)C
InChIInChI=1S/C20H34N4/c1-6-8-15-19(12-7-2)23-20(22-17(3)24(4)5)21-16-18-13-10-9-11-14-18/h6-8,12,15,18H,9-11,13-14,16H2,1-5H3,(H,21,23)/b8-6-,12-7-,19-15+,22-17+
InChIKeyXQHRTTSIVIUDKB-QNCCDVAUSA-N
XLogP4.53
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.53
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
N-[3-[[(Z)-but-2-enyl]-methylamino]but-3-enyl]-N'-[N'-(cyclohexylmethyl)-N-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]carbamimidoyl]-N-methylethanimidamide
CID 142229542

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide (CID 142228723) is N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide is C/C=C\C=C(/C=C\C)NC(=N/CC1CCCCC1)/N=C(\C)N(C)C.
What is the InChIKey of N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide?
The InChIKey is XQHRTTSIVIUDKB-QNCCDVAUSA-N. The full InChI is InChI=1S/C20H34N4/c1-6-8-15-19(12-7-2)23-20(22-17(3)24(4)5)21-16-18-13-10-9-11-14-18/h6-8,12,15,18H,9-11,13-14,16H2,1-5H3,(H,21,23)/b8-6-,12-7-,19-15+,22-17+.
What are the key properties of N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide?
N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide has a molecular weight of 330.52 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 142228723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).