(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine

C15H25N3 — CID 89034874

IUPAC(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H25N3/c1-2-3-14(4-9-16)18-12-7-15(8-13-18)5-10-17-11-6-15/h2-4,9,17H,1,5-8,10-13,16H2/b9-4-,14-3+
InChIKeyLQTQHPIGPCHHHT-IVCCSWCPSA-N
MW247.39 g/mol
LogP1.99
Rot. Bonds3

About (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine

(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine (PubChem CID 89034874) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine
PubChem CID89034874
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H25N3/c1-2-3-14(4-9-16)18-12-7-15(8-13-18)5-10-17-11-6-15/h2-4,9,17H,1,5-8,10-13,16H2/b9-4-,14-3+
InChIKeyLQTQHPIGPCHHHT-IVCCSWCPSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
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 (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine (CID 89034874) is (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)N1CCC2(CCNCC2)CC1.
What is the InChIKey of (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is LQTQHPIGPCHHHT-IVCCSWCPSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-14(4-9-16)18-12-7-15(8-13-18)5-10-17-11-6-15/h2-4,9,17H,1,5-8,10-13,16H2/b9-4-,14-3+.
What are the key properties of (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89034874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).