(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine

C19H26N2 — CID 134287949

IUPAC(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine
SMILESC=C/C=C(\C/C=C\C(C)/C=C/C1=CCC=CC=N1)N(C)C
InChIInChI=1S/C19H26N2/c1-5-10-19(21(3)4)13-9-11-17(2)14-15-18-12-7-6-8-16-20-18/h5-6,8-12,14-17H,1,7,13H2,2-4H3/b11-9-,15-14+,19-10+
InChIKeyCBOKJDPFBTVZOT-JTGURDTQSA-N
MW282.43 g/mol
LogP4.67
Rot. Bonds7

About (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine

(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine (PubChem CID 134287949) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine.

Molecular Properties

Compound Name(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine
PubChem CID134287949
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine
SMILESC=C/C=C(\C/C=C\C(C)/C=C/C1=CCC=CC=N1)N(C)C
InChIInChI=1S/C19H26N2/c1-5-10-19(21(3)4)13-9-11-17(2)14-15-18-12-7-6-8-16-20-18/h5-6,8-12,14-17H,1,7,13H2,2-4H3/b11-9-,15-14+,19-10+
InChIKeyCBOKJDPFBTVZOT-JTGURDTQSA-N
XLogP4.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine?
The IUPAC name of (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine (CID 134287949) is (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine.
What is the SMILES notation for (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine?
The canonical SMILES for (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine is C=C/C=C(\C/C=C\C(C)/C=C/C1=CCC=CC=N1)N(C)C.
What is the InChIKey of (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine?
The InChIKey is CBOKJDPFBTVZOT-JTGURDTQSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-10-19(21(3)4)13-9-11-17(2)14-15-18-12-7-6-8-16-20-18/h5-6,8-12,14-17H,1,7,13H2,2-4H3/b11-9-,15-14+,19-10+.
What are the key properties of (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine?
(3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine has a molecular weight of 282.43 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z,9E)-10-(4H-azepin-2-yl)-N,N,8-trimethyldeca-1,3,6,9-tetraen-4-amine is sourced from PubChem (CID 134287949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).