3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine

C15H20N2 — CID 143882569

IUPAC3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine
SMILESC=C/C=C(\N=C(/C)C(=C)N)C(=C)/C=C\C=C/C
InChIInChI=1S/C15H20N2/c1-6-8-9-11-12(3)15(10-7-2)17-14(5)13(4)16/h6-11H,2-4,16H2,1,5H3/b8-6-,11-9-,15-10-,17-14+
InChIKeyZVTBFVQBUBFBKU-HWWKXQAJSA-N
MW228.34 g/mol
LogP3.68
Rot. Bonds6

About 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine

3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine (PubChem CID 143882569) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine.

Molecular Properties

Compound Name3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine
PubChem CID143882569
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine
SMILESC=C/C=C(\N=C(/C)C(=C)N)C(=C)/C=C\C=C/C
InChIInChI=1S/C15H20N2/c1-6-8-9-11-12(3)15(10-7-2)17-14(5)13(4)16/h6-11H,2-4,16H2,1,5H3/b8-6-,11-9-,15-10-,17-14+
InChIKeyZVTBFVQBUBFBKU-HWWKXQAJSA-N
XLogP3.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine?
The IUPAC name of 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine (CID 143882569) is 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine.
What is the SMILES notation for 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine?
The canonical SMILES for 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine is C=C/C=C(\N=C(/C)C(=C)N)C(=C)/C=C\C=C/C.
What is the InChIKey of 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine?
The InChIKey is ZVTBFVQBUBFBKU-HWWKXQAJSA-N. The full InChI is InChI=1S/C15H20N2/c1-6-8-9-11-12(3)15(10-7-2)17-14(5)13(4)16/h6-11H,2-4,16H2,1,5H3/b8-6-,11-9-,15-10-,17-14+.
What are the key properties of 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine?
3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,6Z,8Z)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]iminobut-1-en-2-amine is sourced from PubChem (CID 143882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).