ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine

C10H18N2 — CID 143779928

IUPACethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
SMILESC=CC(=C)N(/C=C\C)N=C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-5-7-10(9-4)8(3)6-2;1-2/h5-7H,2-4H2,1H3;1-2H3/b7-5-;
InChIKeyZAISJTJFTGWWLT-YJOCEBFMSA-N
MW166.27 g/mol
LogP3.16
Rot. Bonds4

About ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine

ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine (PubChem CID 143779928) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
PubChem CID143779928
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
SMILESC=CC(=C)N(/C=C\C)N=C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-5-7-10(9-4)8(3)6-2;1-2/h5-7H,2-4H2,1H3;1-2H3/b7-5-;
InChIKeyZAISJTJFTGWWLT-YJOCEBFMSA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
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

(2Z,4Z,6Z)-N-methyl-N-(methylideneamino)nona-2,4,6,8-tetraen-2-amine
CID 88328215
(1Z)-N-[(Z)-ethylideneamino]-N-prop-1-en-2-ylbuta-1,3-dien-1-amine
CID 88923578
N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine
CID 123159198
Methyl-(methylideneamino)-(4-methylpenta-1,3-dien-3-yl)-prop-1-enylazanium
CID 123841124
N-(2-methylidene-1-pyridinyl)methanimine
CID 124019916
N-[(2Z)-2-ethylidene-1-pyridinyl]methanimine
CID 130279313
(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine
CID 134286725
2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine
CID 139351196
(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine;ethane
CID 141990725
(3Z)-N-ethenyl-N-(methylideneamino)hexa-1,3,5-trien-2-amine
CID 142316857
(2Z)-N-ethyl-2-ethylidene-N-methylpyridin-1-amine
CID 142384170
ethane;(3E,5Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-1,3,5-trien-4-amine
CID 143636713

Frequently Asked Questions

What is the IUPAC name of ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
The IUPAC name of ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine (CID 143779928) is ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine.
What is the SMILES notation for ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
The canonical SMILES for ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine is C=CC(=C)N(/C=C\C)N=C.CC.
What is the InChIKey of ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
The InChIKey is ZAISJTJFTGWWLT-YJOCEBFMSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-5-7-10(9-4)8(3)6-2;1-2/h5-7H,2-4H2,1H3;1-2H3/b7-5-;.
What are the key properties of ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine has a molecular weight of 166.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine is sourced from PubChem (CID 143779928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).