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

C15H28N2 — CID 177040879

IUPACN'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane
SMILESC/C=C(C)\N=C(CC)\N=C(C)\C(C)=C/C.CC
InChIInChI=1S/C13H22N2.C2H6/c1-7-10(4)12(6)15-13(9-3)14-11(5)8-2;1-2/h7-8H,9H2,1-6H3;1-2H3/b10-7-,11-8-,14-13+,15-12+;
InChIKeyWFPMQGOJDZTSKH-GBNHPPEPSA-N
MW236.40 g/mol
LogP5.17
Rot. Bonds3

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

N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane (PubChem CID 177040879) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane
PubChem CID177040879
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane
SMILESC/C=C(C)\N=C(CC)\N=C(C)\C(C)=C/C.CC
InChIInChI=1S/C13H22N2.C2H6/c1-7-10(4)12(6)15-13(9-3)14-11(5)8-2;1-2/h7-8H,9H2,1-6H3;1-2H3/b10-7-,11-8-,14-13+,15-12+;
InChIKeyWFPMQGOJDZTSKH-GBNHPPEPSA-N
XLogP5.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-[(E)-pent-2-en-3-yl]-5H-pyrimidin-5-ide;yttrium
CID 58291705
2,5-Di(propan-2-yl)pyrrolo[2,3-d]imidazole
CID 59534211
4,6,7-trimethyl-2H-pyrido[3,2-d]pyrimidin-2-ide;yttrium
CID 60069030
2-propan-2-yl-5H-benzimidazole
CID 69083936
(E)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117923561
4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine
CID 134339056
2-methyl-N'-[(E)-4-methylpent-2-en-3-yl]-N-propan-2-ylidenepropanimidamide
CID 137511382
N'-[(E)-hex-2-en-2-yl]-N-propan-2-ylideneethanimidamide
CID 138655543
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
ethane;N-[(3E)-3-ethenylhexa-3,5-dien-2-ylidene]-N'-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]propanimidamide
CID 142539044
(5E)-2-methyl-4-[(Z)-2-methylbut-1-enyl]-5-pentylideneimidazole
CID 144146273
(4E)-4-[(E)-but-2-enylidene]-2-methyl-5-propa-1,2-dienylimidazole;ethane
CID 144146278

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane (CID 177040879) is N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane is C/C=C(C)\N=C(CC)\N=C(C)\C(C)=C/C.CC.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane?
The InChIKey is WFPMQGOJDZTSKH-GBNHPPEPSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-7-10(4)12(6)15-13(9-3)14-11(5)8-2;1-2/h7-8H,9H2,1-6H3;1-2H3/b10-7-,11-8-,14-13+,15-12+;.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane?
N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane has a molecular weight of 236.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-N-[(Z)-3-methylpent-3-en-2-ylidene]propanimidamide;ethane is sourced from PubChem (CID 177040879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).