N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine

C9H14N2 — CID 172960803

IUPACN-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
SMILESC=C/C(=C\C)C(=C)/C=N\NC
InChIInChI=1S/C9H14N2/c1-5-9(6-2)8(3)7-11-10-4/h5-7,10H,1,3H2,2,4H3/b9-6+,11-7-
InChIKeyYJEPGRTWTKJNGI-MLJWIXNLSA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds4

About N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine

N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine (PubChem CID 172960803) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
PubChem CID172960803
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine
SMILESC=C/C(=C\C)C(=C)/C=N\NC
InChIInChI=1S/C9H14N2/c1-5-9(6-2)8(3)7-11-10-4/h5-7,10H,1,3H2,2,4H3/b9-6+,11-7-
InChIKeyYJEPGRTWTKJNGI-MLJWIXNLSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
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-[(E)-[(E)-2-ethenylbut-2-enylidene]amino]methanamine
CID 144526750
N-(2-methylprop-2-enylideneamino)methanamine
CID 76750151
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
CID 166818334
N-methyl-2-[(Z)-(methylhydrazinylidene)methyl]prop-2-en-1-amine
CID 143109432
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine
CID 145149489
(2E)-2-ethylidene-3-methylidenepent-4-enal
CID 123838343
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
prop-1-en-2-yl (1Z)-N-(methylamino)methanimidothioate
CID 174359467
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
CID 164855515

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine (CID 172960803) is N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine is C=C/C(=C\C)C(=C)/C=N\NC.
What is the InChIKey of N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine?
The InChIKey is YJEPGRTWTKJNGI-MLJWIXNLSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-9(6-2)8(3)7-11-10-4/h5-7,10H,1,3H2,2,4H3/b9-6+,11-7-.
What are the key properties of N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine?
N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine has a molecular weight of 150.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-ethenyl-2-methylidenepent-3-enylidene]amino]methanamine is sourced from PubChem (CID 172960803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).