(1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine

C11H19N3 — CID 134406448

IUPAC(1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CC2(CCC2)C1
InChIInChI=1S/C11H19N3/c1-9(12)3-4-10(13)14-7-11(8-14)5-2-6-11/h3-4H,2,5-8,12-13H2,1H3/b9-3-,10-4+
InChIKeySKMSDHNULKPVAR-INWPEIIHSA-N
MW193.29 g/mol
LogP1.13
Rot. Bonds2

About (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine (PubChem CID 134406448) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine
PubChem CID134406448
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CC2(CCC2)C1
InChIInChI=1S/C11H19N3/c1-9(12)3-4-10(13)14-7-11(8-14)5-2-6-11/h3-4H,2,5-8,12-13H2,1H3/b9-3-,10-4+
InChIKeySKMSDHNULKPVAR-INWPEIIHSA-N
XLogP1.13
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.13
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 (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine (CID 134406448) is (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CC2(CCC2)C1.
What is the InChIKey of (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is SKMSDHNULKPVAR-INWPEIIHSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(12)3-4-10(13)14-7-11(8-14)5-2-6-11/h3-4H,2,5-8,12-13H2,1H3/b9-3-,10-4+.
What are the key properties of (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(2-azaspiro[3.3]heptan-2-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).