N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide

C13H23N3 — CID 177041297

IUPACN-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide
SMILESC/C=C(C)\N=C(C)\C(CCC)=N\C(C)=N\C
InChIInChI=1S/C13H23N3/c1-7-9-13(16-12(5)14-6)11(4)15-10(3)8-2/h8H,7,9H2,1-6H3/b10-8-,14-12+,15-11+,16-13+
InChIKeyQYCITYKJJYGGJA-VTMFGIEJSA-N
MW221.35 g/mol
LogP3.66
Rot. Bonds4

About N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide

N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide (PubChem CID 177041297) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide
PubChem CID177041297
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide
SMILESC/C=C(C)\N=C(C)\C(CCC)=N\C(C)=N\C
InChIInChI=1S/C13H23N3/c1-7-9-13(16-12(5)14-6)11(4)15-10(3)8-2/h8H,7,9H2,1-6H3/b10-8-,14-12+,15-11+,16-13+
InChIKeyQYCITYKJJYGGJA-VTMFGIEJSA-N
XLogP3.66
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
CID 91026832
N'-[(Z)-but-2-en-2-yl]-N-methylideneethanimidamide;ethane
CID 143774549
N'-[(Z)-but-2-en-2-yl]-N-methylidenepropanimidamide
CID 143926348
N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
CID 147678646
N'-but-2-en-2-yl-N-propan-2-ylideneethanimidamide
CID 173486583
N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)
CID 177040244
N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane
CID 177041296
N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide
CID 177040245

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide?
The IUPAC name of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide (CID 177041297) is N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide is C/C=C(C)\N=C(C)\C(CCC)=N\C(C)=N\C.
What is the InChIKey of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide?
The InChIKey is QYCITYKJJYGGJA-VTMFGIEJSA-N. The full InChI is InChI=1S/C13H23N3/c1-7-9-13(16-12(5)14-6)11(4)15-10(3)8-2/h8H,7,9H2,1-6H3/b10-8-,14-12+,15-11+,16-13+.
What are the key properties of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide?
N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide has a molecular weight of 221.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide is sourced from PubChem (CID 177041297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).