4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one

C14H26N4O — CID 138389584

IUPAC4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCCN(CCC)CC2
InChIInChI=1S/C14H26N4O/c1-3-8-17-10-5-6-14(7-11-17)12(15)16-13(19)18(14)9-4-2/h3-11H2,1-2H3,(H2,15,16,19)
InChIKeyXBDTZPZWEWWJRN-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.03
Rot. Bonds4

About 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one

4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one (PubChem CID 138389584) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
PubChem CID138389584
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCCN(CCC)CC2
InChIInChI=1S/C14H26N4O/c1-3-8-17-10-5-6-14(7-11-17)12(15)16-13(19)18(14)9-4-2/h3-11H2,1-2H3,(H2,15,16,19)
InChIKeyXBDTZPZWEWWJRN-UHFFFAOYSA-N
XLogP2.03
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one?
The IUPAC name of 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one (CID 138389584) is 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one?
The canonical SMILES for 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CCCN(CCC)CC2.
What is the InChIKey of 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one?
The InChIKey is XBDTZPZWEWWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-8-17-10-5-6-14(7-11-17)12(15)16-13(19)18(14)9-4-2/h3-11H2,1-2H3,(H2,15,16,19).
What are the key properties of 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one?
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one has a molecular weight of 266.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 138389584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).