N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane

C8H15N3 — CID 143657698

IUPACN'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane
SMILESC=C/C(C)=N\N=C/N=C.CC
InChIInChI=1S/C6H9N3.C2H6/c1-4-6(2)9-8-5-7-3;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-5-,9-6-;
InChIKeyKHDCBJNMQRXYOB-CFPLPEBESA-N
MW153.23 g/mol
LogP2.30
Rot. Bonds3

About N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane

N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane (PubChem CID 143657698) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane
PubChem CID143657698
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane
SMILESC=C/C(C)=N\N=C/N=C.CC
InChIInChI=1S/C6H9N3.C2H6/c1-4-6(2)9-8-5-7-3;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-5-,9-6-;
InChIKeyKHDCBJNMQRXYOB-CFPLPEBESA-N
XLogP2.30
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane 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

ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
CID 177175992
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
N'-(ethylideneamino)-N-methylidenemethanimidamide
CID 123725112
(E)-N-methoxybut-3-en-2-imine
CID 142905738
(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
N'-[[(Z)-but-2-en-2-yl]-ethenylamino]-N-methylidenemethanimidamide
CID 155686469

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane?
The IUPAC name of N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane (CID 143657698) is N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane.
What is the SMILES notation for N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane?
The canonical SMILES for N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane is C=C/C(C)=N\N=C/N=C.CC.
What is the InChIKey of N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane?
The InChIKey is KHDCBJNMQRXYOB-CFPLPEBESA-N. The full InChI is InChI=1S/C6H9N3.C2H6/c1-4-6(2)9-8-5-7-3;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-5-,9-6-;.
What are the key properties of N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane?
N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane has a molecular weight of 153.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane is sourced from PubChem (CID 143657698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).