(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine

C14H23N3 — CID 89034932

IUPAC(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC2(CCNCC2)C1
InChIInChI=1S/C14H23N3/c1-2-3-13(4-8-15)17-11-7-14(12-17)5-9-16-10-6-14/h2-4,8,16H,1,5-7,9-12,15H2/b8-4-,13-3+
InChIKeyHJZSTZMOUYEZNL-BONHUKLLSA-N
MW233.36 g/mol
LogP1.60
Rot. Bonds3

About (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine

(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine (PubChem CID 89034932) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine
PubChem CID89034932
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC2(CCNCC2)C1
InChIInChI=1S/C14H23N3/c1-2-3-13(4-8-15)17-11-7-14(12-17)5-9-16-10-6-14/h2-4,8,16H,1,5-7,9-12,15H2/b8-4-,13-3+
InChIKeyHJZSTZMOUYEZNL-BONHUKLLSA-N
XLogP1.60
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.60
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-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine (CID 89034932) is (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)N1CCC2(CCNCC2)C1.
What is the InChIKey of (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is HJZSTZMOUYEZNL-BONHUKLLSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-13(4-8-15)17-11-7-14(12-17)5-9-16-10-6-14/h2-4,8,16H,1,5-7,9-12,15H2/b8-4-,13-3+.
What are the key properties of (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89034932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).