(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine

C14H18N2 — CID 166959142

IUPAC(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine
SMILESC=C/C=C\N=C(C=C)\C(=C\C=C)N(C)C=C
InChIInChI=1S/C14H18N2/c1-6-10-12-15-13(8-3)14(11-7-2)16(5)9-4/h6-12H,1-4H2,5H3/b12-10-,14-11-,15-13+
InChIKeyDLZLSMPJOGOMPI-VQGLWSBPSA-N
MW214.31 g/mol
LogP3.46
Rot. Bonds7

About (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine

(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine (PubChem CID 166959142) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine.

Molecular Properties

Compound Name(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine
PubChem CID166959142
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine
SMILESC=C/C=C\N=C(C=C)\C(=C\C=C)N(C)C=C
InChIInChI=1S/C14H18N2/c1-6-10-12-15-13(8-3)14(11-7-2)16(5)9-4/h6-12H,1-4H2,5H3/b12-10-,14-11-,15-13+
InChIKeyDLZLSMPJOGOMPI-VQGLWSBPSA-N
XLogP3.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
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 (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine?
The IUPAC name of (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine (CID 166959142) is (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine.
What is the SMILES notation for (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine?
The canonical SMILES for (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine is C=C/C=C\N=C(C=C)\C(=C\C=C)N(C)C=C.
What is the InChIKey of (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine?
The InChIKey is DLZLSMPJOGOMPI-VQGLWSBPSA-N. The full InChI is InChI=1S/C14H18N2/c1-6-10-12-15-13(8-3)14(11-7-2)16(5)9-4/h6-12H,1-4H2,5H3/b12-10-,14-11-,15-13+.
What are the key properties of (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine?
(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine has a molecular weight of 214.31 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine is sourced from PubChem (CID 166959142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).