(Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine

C20H32N2 — CID 142877910

IUPAC(Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine
SMILESC/C=C\C.C=C/C=C(\C=C/CC)C(/CC)=N/N(C)C(=C)C=C
InChIInChI=1S/C16H24N2.C4H8/c1-7-11-13-15(12-8-2)16(10-4)17-18(6)14(5)9-3;1-3-4-2/h8-9,11-13H,2-3,5,7,10H2,1,4,6H3;3-4H,1-2H3/b13-11-,15-12+,17-16+;4-3-
InChIKeyFKEVQGQXNZQSMD-JRIFXVRSSA-N
MW300.49 g/mol
LogP6.04
Rot. Bonds8

About (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine

(Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine (PubChem CID 142877910) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine
PubChem CID142877910
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine
SMILESC/C=C\C.C=C/C=C(\C=C/CC)C(/CC)=N/N(C)C(=C)C=C
InChIInChI=1S/C16H24N2.C4H8/c1-7-11-13-15(12-8-2)16(10-4)17-18(6)14(5)9-3;1-3-4-2/h8-9,11-13H,2-3,5,7,10H2,1,4,6H3;3-4H,1-2H3/b13-11-,15-12+,17-16+;4-3-
InChIKeyFKEVQGQXNZQSMD-JRIFXVRSSA-N
XLogP6.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine?
The IUPAC name of (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine (CID 142877910) is (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine.
What is the SMILES notation for (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine?
The canonical SMILES for (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine is C/C=C\C.C=C/C=C(\C=C/CC)C(/CC)=N/N(C)C(=C)C=C.
What is the InChIKey of (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine?
The InChIKey is FKEVQGQXNZQSMD-JRIFXVRSSA-N. The full InChI is InChI=1S/C16H24N2.C4H8/c1-7-11-13-15(12-8-2)16(10-4)17-18(6)14(5)9-3;1-3-4-2/h8-9,11-13H,2-3,5,7,10H2,1,4,6H3;3-4H,1-2H3/b13-11-,15-12+,17-16+;4-3-.
What are the key properties of (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine?
(Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine has a molecular weight of 300.49 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-methyl-N-[(E)-[(Z,4E)-4-prop-2-enylideneoct-5-en-3-ylidene]amino]buta-1,3-dien-2-amine is sourced from PubChem (CID 142877910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).