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

C14H27N3 — CID 145197608

IUPAC(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane
SMILESC/C(N)=C/C=C(\N)N1CCCC2(CC2)C1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-10(13)3-4-11(14)15-8-2-5-12(9-15)6-7-12;1-2/h3-4H,2,5-9,13-14H2,1H3;1-2H3/b10-3-,11-4+;
InChIKeyHQUBAHCOLGMKIO-UNWOOLTNSA-N
MW237.39 g/mol
LogP2.55
Rot. Bonds2

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

(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane (PubChem CID 145197608) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane.

Molecular Properties

Compound Name(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane
PubChem CID145197608
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane
SMILESC/C(N)=C/C=C(\N)N1CCCC2(CC2)C1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-10(13)3-4-11(14)15-8-2-5-12(9-15)6-7-12;1-2/h3-4H,2,5-9,13-14H2,1H3;1-2H3/b10-3-,11-4+;
InChIKeyHQUBAHCOLGMKIO-UNWOOLTNSA-N
XLogP2.55
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.55
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
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
(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine
CID 145197609

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;ethane?
The IUPAC name of (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane (CID 145197608) is (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane.
What is the SMILES notation for (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane?
The canonical SMILES for (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane is C/C(N)=C/C=C(\N)N1CCCC2(CC2)C1.CC.
What is the InChIKey of (1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane?
The InChIKey is HQUBAHCOLGMKIO-UNWOOLTNSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-10(13)3-4-11(14)15-8-2-5-12(9-15)6-7-12;1-2/h3-4H,2,5-9,13-14H2,1H3;1-2H3/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;ethane?
(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane has a molecular weight of 237.39 g/mol, XLogP of 2.55, 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;ethane is sourced from PubChem (CID 145197608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).