8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane

C17H32N4O — CID 145197878

IUPAC8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane
SMILESCC.CC(C)/C(N)=C/C=C(\N)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H26N4O.C2H6/c1-11(2)12(16)3-4-13(17)19-7-5-15(6-8-19)9-14(20)18-10-15;1-2/h3-4,11H,5-10,16-17H2,1-2H3,(H,18,20);1-2H3/b12-3-,13-4+;
InChIKeyDHIXIIWSLGGGEO-FBGPQLBHSA-N
MW308.47 g/mol
LogP1.91
Rot. Bonds3

About 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane

8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane (PubChem CID 145197878) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane.

Molecular Properties

Compound Name8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane
PubChem CID145197878
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane
SMILESCC.CC(C)/C(N)=C/C=C(\N)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H26N4O.C2H6/c1-11(2)12(16)3-4-13(17)19-7-5-15(6-8-19)9-14(20)18-10-15;1-2/h3-4,11H,5-10,16-17H2,1-2H3,(H,18,20);1-2H3/b12-3-,13-4+;
InChIKeyDHIXIIWSLGGGEO-FBGPQLBHSA-N
XLogP1.91
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane?
The IUPAC name of 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane (CID 145197878) is 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane.
What is the SMILES notation for 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane?
The canonical SMILES for 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane is CC.CC(C)/C(N)=C/C=C(\N)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane?
The InChIKey is DHIXIIWSLGGGEO-FBGPQLBHSA-N. The full InChI is InChI=1S/C15H26N4O.C2H6/c1-11(2)12(16)3-4-13(17)19-7-5-15(6-8-19)9-14(20)18-10-15;1-2/h3-4,11H,5-10,16-17H2,1-2H3,(H,18,20);1-2H3/b12-3-,13-4+;.
What are the key properties of 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane?
8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane has a molecular weight of 308.47 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dienyl]-2,8-diazaspiro[4.5]decan-3-one;ethane is sourced from PubChem (CID 145197878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).