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

C14H24N4O — CID 79959669

IUPAC4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCC(C)N1CCCC2(CC1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C14H24N4O/c1-10(2)17-8-3-6-14(7-9-17)12(15)16-13(19)18(14)11-4-5-11/h10-11H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyUDTDZSJJUSHNAR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds2

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

4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79959669) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79959669
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCC(C)N1CCCC2(CC1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C14H24N4O/c1-10(2)17-8-3-6-14(7-9-17)12(15)16-13(19)18(14)11-4-5-11/h10-11H,3-9H2,1-2H3,(H2,15,16,19)
InChIKeyUDTDZSJJUSHNAR-UHFFFAOYSA-N
XLogP1.57
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79959669) is 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is CC(C)N1CCCC2(CC1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is UDTDZSJJUSHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)17-8-3-6-14(7-9-17)12(15)16-13(19)18(14)11-4-5-11/h10-11H,3-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79959669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).