3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one

C16H24N3OP — CID 18344872

IUPAC3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one
SMILESCN(CCN1CN(P)CCC1=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H24N3OP/c1-17(8-9-18-12-19(21)7-6-16(18)20)15-10-13-4-2-3-5-14(13)11-15/h2-5,15H,6-12,21H2,1H3
InChIKeyINLCGNCBOFFSBJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.37
Rot. Bonds4

About 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one

3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one (PubChem CID 18344872) has the molecular formula C16H24N3OP and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one
PubChem CID18344872
Molecular FormulaC16H24N3OP
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one
SMILESCN(CCN1CN(P)CCC1=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H24N3OP/c1-17(8-9-18-12-19(21)7-6-16(18)20)15-10-13-4-2-3-5-14(13)11-15/h2-5,15H,6-12,21H2,1H3
InChIKeyINLCGNCBOFFSBJ-UHFFFAOYSA-N
XLogP1.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one?
The IUPAC name of 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one (CID 18344872) is 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one.
What is the SMILES notation for 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one?
The canonical SMILES for 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one is CN(CCN1CN(P)CCC1=O)C1Cc2ccccc2C1.
What is the InChIKey of 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one?
The InChIKey is INLCGNCBOFFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N3OP/c1-17(8-9-18-12-19(21)7-6-16(18)20)15-10-13-4-2-3-5-14(13)11-15/h2-5,15H,6-12,21H2,1H3.
What are the key properties of 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one?
3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one has a molecular weight of 305.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]ethyl]-1-phosphanyl-1,3-diazinan-4-one is sourced from PubChem (CID 18344872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).