(Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide

C20H34N2 — CID 154937341

IUPAC(Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide
SMILESC=C(CCCC/C=C\C)NC(=N/C1CCC1(C)C)/C(C)=C\C
InChIInChI=1S/C20H34N2/c1-7-9-10-11-12-13-17(4)21-19(16(3)8-2)22-18-14-15-20(18,5)6/h7-9,18H,4,10-15H2,1-3,5-6H3,(H,21,22)/b9-7-,16-8-
InChIKeyKOLHHOYEJDORDT-BIHOSGGPSA-N
MW302.51 g/mol
LogP5.78
Rot. Bonds8

About (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide

(Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide (PubChem CID 154937341) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide
PubChem CID154937341
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide
SMILESC=C(CCCC/C=C\C)NC(=N/C1CCC1(C)C)/C(C)=C\C
InChIInChI=1S/C20H34N2/c1-7-9-10-11-12-13-17(4)21-19(16(3)8-2)22-18-14-15-20(18,5)6/h7-9,18H,4,10-15H2,1-3,5-6H3,(H,21,22)/b9-7-,16-8-
InChIKeyKOLHHOYEJDORDT-BIHOSGGPSA-N
XLogP5.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide?
The IUPAC name of (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide (CID 154937341) is (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide is C=C(CCCC/C=C\C)NC(=N/C1CCC1(C)C)/C(C)=C\C.
What is the InChIKey of (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide?
The InChIKey is KOLHHOYEJDORDT-BIHOSGGPSA-N. The full InChI is InChI=1S/C20H34N2/c1-7-9-10-11-12-13-17(4)21-19(16(3)8-2)22-18-14-15-20(18,5)6/h7-9,18H,4,10-15H2,1-3,5-6H3,(H,21,22)/b9-7-,16-8-.
What are the key properties of (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide?
(Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide has a molecular weight of 302.51 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2,2-dimethylcyclobutyl)-2-methyl-N-[(7Z)-nona-1,7-dien-2-yl]but-2-enimidamide is sourced from PubChem (CID 154937341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).