(5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine

C16H25N3 — CID 146531765

IUPAC(5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine
SMILESC/C=C\C(=C/CC)N1C/C=C\C=C/C/N=C\1N(C)C
InChIInChI=1S/C16H25N3/c1-5-11-15(12-6-2)19-14-10-8-7-9-13-17-16(19)18(3)4/h5,7-12H,6,13-14H2,1-4H3/b9-7-,10-8-,11-5-,15-12+,17-16-
InChIKeyVDTQDDQAIBPOKJ-QCZVWBFUSA-N
MW259.40 g/mol
LogP3.20
Rot. Bonds3

About (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine

(5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine (PubChem CID 146531765) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine.

Molecular Properties

Compound Name(5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine
PubChem CID146531765
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine
SMILESC/C=C\C(=C/CC)N1C/C=C\C=C/C/N=C\1N(C)C
InChIInChI=1S/C16H25N3/c1-5-11-15(12-6-2)19-14-10-8-7-9-13-17-16(19)18(3)4/h5,7-12H,6,13-14H2,1-4H3/b9-7-,10-8-,11-5-,15-12+,17-16-
InChIKeyVDTQDDQAIBPOKJ-QCZVWBFUSA-N
XLogP3.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine?
The IUPAC name of (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine (CID 146531765) is (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine.
What is the SMILES notation for (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine?
The canonical SMILES for (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine is C/C=C\C(=C/CC)N1C/C=C\C=C/C/N=C\1N(C)C.
What is the InChIKey of (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine?
The InChIKey is VDTQDDQAIBPOKJ-QCZVWBFUSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-11-15(12-6-2)19-14-10-8-7-9-13-17-16(19)18(3)4/h5,7-12H,6,13-14H2,1-4H3/b9-7-,10-8-,11-5-,15-12+,17-16-.
What are the key properties of (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine?
(5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-1-[(2Z,4E)-hepta-2,4-dien-4-yl]-N,N-dimethyl-4,9-dihydro-1,3-diazonin-2-amine is sourced from PubChem (CID 146531765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).