N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide

C14H25N3 — CID 134478692

IUPACN'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
SMILESCC/C=C\N=C(/N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C14H25N3/c1-6-8-9-16-14(15)13(11(3)4)17-10-12(5)7-2/h8-10,12H,6-7H2,1-5H3,(H2,15,16)/b9-8-,17-10+
InChIKeyAKEROPABRXMWJN-ABHVWSBLSA-N
MW235.37 g/mol
LogP3.68
Rot. Bonds6

About N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide

N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide (PubChem CID 134478692) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
PubChem CID134478692
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
SMILESCC/C=C\N=C(/N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C14H25N3/c1-6-8-9-16-14(15)13(11(3)4)17-10-12(5)7-2/h8-10,12H,6-7H2,1-5H3,(H2,15,16)/b9-8-,17-10+
InChIKeyAKEROPABRXMWJN-ABHVWSBLSA-N
XLogP3.68
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The IUPAC name of N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide (CID 134478692) is N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide.
What is the SMILES notation for N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The canonical SMILES for N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide is CC/C=C\N=C(/N)C(/N=C/C(C)CC)=C(C)C.
What is the InChIKey of N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The InChIKey is AKEROPABRXMWJN-ABHVWSBLSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-8-9-16-14(15)13(11(3)4)17-10-12(5)7-2/h8-10,12H,6-7H2,1-5H3,(H2,15,16)/b9-8-,17-10+.
What are the key properties of N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide has a molecular weight of 235.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide is sourced from PubChem (CID 134478692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).