N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine

C7H12N2 — CID 144526750

IUPACN-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine
SMILESC=CC(/C=N/NC)=C\C
InChIInChI=1S/C7H12N2/c1-4-7(5-2)6-9-8-3/h4-6,8H,1H2,2-3H3/b7-5+,9-6+
InChIKeyBIUJVTVLUHLVOZ-PDTNFJSOSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

About N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine

N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine (PubChem CID 144526750) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine
PubChem CID144526750
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine
SMILESC=CC(/C=N/NC)=C\C
InChIInChI=1S/C7H12N2/c1-4-7(5-2)6-9-8-3/h4-6,8H,1H2,2-3H3/b7-5+,9-6+
InChIKeyBIUJVTVLUHLVOZ-PDTNFJSOSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
CID 172960803
N-(2-methylprop-2-enylideneamino)methanamine
CID 76750151
N-methyl-2-[(Z)-(methylhydrazinylidene)methyl]prop-2-en-1-amine
CID 143109432
N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine
CID 176532376
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
N'-(methylamino)-N-methylidenemethanimidamide
CID 142928984
ethene;(2E,4E)-4-ethenylhexa-2,4-dien-2-amine
CID 142131627
(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine
CID 163766280
(Z)-4-methyl-3-[(Z)-(methylhydrazinylidene)methyl]pent-2-enal
CID 155054347
(3Z,4E)-3-ethylidene-5,6,6-trimethylhepta-1,4-diene
CID 153392507
prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate
CID 174359467

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine (CID 144526750) is N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine is C=CC(/C=N/NC)=C\C.
What is the InChIKey of N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine?
The InChIKey is BIUJVTVLUHLVOZ-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(5-2)6-9-8-3/h4-6,8H,1H2,2-3H3/b7-5+,9-6+.
What are the key properties of N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine?
N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine is sourced from PubChem (CID 144526750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).