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

C15H29N3 — CID 177041296

IUPACN-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane
SMILESC/C=C(C)\N=C(C)\C(CCC)=N\C(C)=N\C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-7-9-13(16-12(5)14-6)11(4)15-10(3)8-2;1-2/h8H,7,9H2,1-6H3;1-2H3/b10-8-,14-12+,15-11+,16-13+;
InChIKeyXVBAJSLMWOFHOX-UYSZJCCXSA-N
MW251.42 g/mol
LogP4.69
Rot. Bonds4

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

N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane (PubChem CID 177041296) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane.

Molecular Properties

Compound NameN-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane
PubChem CID177041296
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane
SMILESC/C=C(C)\N=C(C)\C(CCC)=N\C(C)=N\C.CC
InChIInChI=1S/C13H23N3.C2H6/c1-7-9-13(16-12(5)14-6)11(4)15-10(3)8-2;1-2/h8H,7,9H2,1-6H3;1-2H3/b10-8-,14-12+,15-11+,16-13+;
InChIKeyXVBAJSLMWOFHOX-UYSZJCCXSA-N
XLogP4.69
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.69
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'}

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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-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide
CID 177040245
N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide
CID 177041297

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane?
The IUPAC name of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane (CID 177041296) is N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane.
What is the SMILES notation for N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane?
The canonical SMILES for N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane is C/C=C(C)\N=C(C)\C(CCC)=N\C(C)=N\C.CC.
What is the InChIKey of N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane?
The InChIKey is XVBAJSLMWOFHOX-UYSZJCCXSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-7-9-13(16-12(5)14-6)11(4)15-10(3)8-2;1-2/h8H,7,9H2,1-6H3;1-2H3/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;ethane?
N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane has a molecular weight of 251.42 g/mol, XLogP of 4.69, 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;ethane is sourced from PubChem (CID 177041296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).