(2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane

C13H24N2 — CID 168925689

IUPAC(2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane
SMILESC=NN(/C=C\CC)C(/C=C\C)=C\C.CC
InChIInChI=1S/C11H18N2.C2H6/c1-5-8-10-13(12-4)11(7-3)9-6-2;1-2/h6-10H,4-5H2,1-3H3;1-2H3/b9-6-,10-8-,11-7-;
InChIKeyUPXNALKXOVZJCP-QAARTPNXSA-N
MW208.35 g/mol
LogP4.33
Rot. Bonds5

About (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane

(2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane (PubChem CID 168925689) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane.

Molecular Properties

Compound Name(2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane
PubChem CID168925689
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane
SMILESC=NN(/C=C\CC)C(/C=C\C)=C\C.CC
InChIInChI=1S/C11H18N2.C2H6/c1-5-8-10-13(12-4)11(7-3)9-6-2;1-2/h6-10H,4-5H2,1-3H3;1-2H3/b9-6-,10-8-,11-7-;
InChIKeyUPXNALKXOVZJCP-QAARTPNXSA-N
XLogP4.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.33
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

ethane;ethene;(E)-pent-2-ene
CID 154666573
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(Z)-N-methyl-N-[(methylideneamino)methyl]but-1-en-1-amine
CID 134365422
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 143203776
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
N-[(Z)-but-1-enyl]-N-methylprop-2-enimidamide;ethane
CID 145001615
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
The IUPAC name of (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane (CID 168925689) is (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane.
What is the SMILES notation for (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
The canonical SMILES for (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane is C=NN(/C=C\CC)C(/C=C\C)=C\C.CC.
What is the InChIKey of (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
The InChIKey is UPXNALKXOVZJCP-QAARTPNXSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-5-8-10-13(12-4)11(7-3)9-6-2;1-2/h6-10H,4-5H2,1-3H3;1-2H3/b9-6-,10-8-,11-7-;.
What are the key properties of (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane?
(2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane has a molecular weight of 208.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[(Z)-but-1-enyl]-N-(methylideneamino)hexa-2,4-dien-3-amine;ethane is sourced from PubChem (CID 168925689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).