(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine

C14H20N2 — CID 167138531

IUPAC(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C=C/C)N(C)C(=C)/C=N/C=C\C
InChIInChI=1S/C14H20N2/c1-6-8-9-10-13(3)16(5)14(4)12-15-11-7-2/h6-12H,3-4H2,1-2,5H3/b8-6-,10-9-,11-7-,15-12+
InChIKeyLQHWYGOEVVXCSD-HPABFOQNSA-N
MW216.33 g/mol
LogP3.68
Rot. Bonds6

About (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine

(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine (PubChem CID 167138531) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine
PubChem CID167138531
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C=C/C)N(C)C(=C)/C=N/C=C\C
InChIInChI=1S/C14H20N2/c1-6-8-9-10-13(3)16(5)14(4)12-15-11-7-2/h6-12H,3-4H2,1-2,5H3/b8-6-,10-9-,11-7-,15-12+
InChIKeyLQHWYGOEVVXCSD-HPABFOQNSA-N
XLogP3.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.68
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,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine (CID 167138531) is (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine is C=C(/C=C\C=C/C)N(C)C(=C)/C=N/C=C\C.
What is the InChIKey of (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine?
The InChIKey is LQHWYGOEVVXCSD-HPABFOQNSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-8-9-10-13(3)16(5)14(4)12-15-11-7-2/h6-12H,3-4H2,1-2,5H3/b8-6-,10-9-,11-7-,15-12+.
What are the key properties of (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine?
(3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-N-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 167138531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).