4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one

C14H24N4O — CID 79967058

IUPAC4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCN(C(C)C)CC2
InChIInChI=1S/C14H24N4O/c1-4-8-18-13(19)16-12(15)14(18)6-5-9-17(10-7-14)11(2)3/h4,11H,1,5-10H2,2-3H3,(H2,15,16,19)
InChIKeyJPRMNFATTKDCGF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.60
Rot. Bonds3

About 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one

4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79967058) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79967058
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCCN(C(C)C)CC2
InChIInChI=1S/C14H24N4O/c1-4-8-18-13(19)16-12(15)14(18)6-5-9-17(10-7-14)11(2)3/h4,11H,1,5-10H2,2-3H3,(H2,15,16,19)
InChIKeyJPRMNFATTKDCGF-UHFFFAOYSA-N
XLogP1.60
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79967058) is 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is C=CCN1C(=O)N=C(N)C12CCCN(C(C)C)CC2.
What is the InChIKey of 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is JPRMNFATTKDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-8-18-13(19)16-12(15)14(18)6-5-9-17(10-7-14)11(2)3/h4,11H,1,5-10H2,2-3H3,(H2,15,16,19).
What are the key properties of 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-propan-2-yl-1-prop-2-enyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79967058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).