(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine

C12H21N3 — CID 145197609

IUPAC(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCC2(CC2)C1
InChIInChI=1S/C12H21N3/c1-10(13)3-4-11(14)15-8-2-5-12(9-15)6-7-12/h3-4H,2,5-9,13-14H2,1H3/b10-3-,11-4+
InChIKeyHUJSMOBDYTZISC-ABRIWZISSA-N
MW207.32 g/mol
LogP1.52
Rot. Bonds2

About (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine (PubChem CID 145197609) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine
PubChem CID145197609
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCC2(CC2)C1
InChIInChI=1S/C12H21N3/c1-10(13)3-4-11(14)15-8-2-5-12(9-15)6-7-12/h3-4H,2,5-9,13-14H2,1H3/b10-3-,11-4+
InChIKeyHUJSMOBDYTZISC-ABRIWZISSA-N
XLogP1.52
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406497
(1E,3Z)-1-(3-propylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406583
(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine;ethane
CID 142517086
(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane
CID 145197608
5,5,6-Trimethyl-1-prop-1-en-2-ylpiperidin-2-amine
CID 163827663
(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine
CID 142517087

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine (CID 145197609) is (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCCC2(CC2)C1.
What is the InChIKey of (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is HUJSMOBDYTZISC-ABRIWZISSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(13)3-4-11(14)15-8-2-5-12(9-15)6-7-12/h3-4H,2,5-9,13-14H2,1H3/b10-3-,11-4+.
What are the key properties of (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145197609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).