2-(but-3-en-2-ylideneamino)ethenamine

C6H10N2 — CID 146739321

IUPAC2-(but-3-en-2-ylideneamino)ethenamine
SMILESC=C/C(C)=N/C=CN
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-5H,1,7H2,2H3/b5-4?,8-6+
InChIKeyRKDALLWUIGJBBP-MJZAGPDTSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About 2-(but-3-en-2-ylideneamino)ethenamine

2-(but-3-en-2-ylideneamino)ethenamine (PubChem CID 146739321) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-(but-3-en-2-ylideneamino)ethenamine.

Molecular Properties

Compound Name2-(but-3-en-2-ylideneamino)ethenamine
PubChem CID146739321
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-(but-3-en-2-ylideneamino)ethenamine
SMILESC=C/C(C)=N/C=CN
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-5H,1,7H2,2H3/b5-4?,8-6+
InChIKeyRKDALLWUIGJBBP-MJZAGPDTSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
CID 126596280
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
CID 134253328
(E)-N-methoxybut-3-en-2-imine
CID 142905738
N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
CID 177175992
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
ethyl 2-[(Z)-2-aminoethenyl]iminopropanoate
CID 156513409
N-[(E)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]prop-1-enyl]but-3-en-2-imine
CID 88944973
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244

Frequently Asked Questions

What is the IUPAC name of 2-(but-3-en-2-ylideneamino)ethenamine?
The IUPAC name of 2-(but-3-en-2-ylideneamino)ethenamine (CID 146739321) is 2-(but-3-en-2-ylideneamino)ethenamine.
What is the SMILES notation for 2-(but-3-en-2-ylideneamino)ethenamine?
The canonical SMILES for 2-(but-3-en-2-ylideneamino)ethenamine is C=C/C(C)=N/C=CN.
What is the InChIKey of 2-(but-3-en-2-ylideneamino)ethenamine?
The InChIKey is RKDALLWUIGJBBP-MJZAGPDTSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-5H,1,7H2,2H3/b5-4?,8-6+.
What are the key properties of 2-(but-3-en-2-ylideneamino)ethenamine?
2-(but-3-en-2-ylideneamino)ethenamine has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-ylideneamino)ethenamine is sourced from PubChem (CID 146739321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).