2,2-diamino-1-phenyldecan-1-one

C16H26N2O — CID 67896103

IUPAC2,2-diamino-1-phenyldecan-1-one
SMILESCCCCCCCCC(N)(N)C(=O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-4-5-6-10-13-16(17,18)15(19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13,17-18H2,1H3
InChIKeySSWVOMYGPZUYGC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds9

About 2,2-diamino-1-phenyldecan-1-one

2,2-diamino-1-phenyldecan-1-one (PubChem CID 67896103) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-diamino-1-phenyldecan-1-one.

Molecular Properties

Compound Name2,2-diamino-1-phenyldecan-1-one
PubChem CID67896103
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-diamino-1-phenyldecan-1-one
SMILESCCCCCCCCC(N)(N)C(=O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-4-5-6-10-13-16(17,18)15(19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13,17-18H2,1H3
InChIKeySSWVOMYGPZUYGC-UHFFFAOYSA-N
XLogP3.23
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diamino-1-(4-nitrophenyl)nonan-1-one
CID 142402457
(2-hexyl-2-methyldecyl) benzoate
CID 138503847
benzoic acid;tridecan-1-ol
CID 67710151
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
1,1-diphenyldodecan-1-amine
CID 19925745
benzoic acid;tetradecylphosphane
CID 175118977
hexane;1-phenylethanone
CID 160797049
N-(5-methyldodecan-5-yl)benzamide
CID 130355979
2,2-dibromo-1-phenylpentan-1-one
CID 15696195
1-phenylheptadecan-1-one
CID 577626

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-1-phenyldecan-1-one?
The IUPAC name of 2,2-diamino-1-phenyldecan-1-one (CID 67896103) is 2,2-diamino-1-phenyldecan-1-one.
What is the SMILES notation for 2,2-diamino-1-phenyldecan-1-one?
The canonical SMILES for 2,2-diamino-1-phenyldecan-1-one is CCCCCCCCC(N)(N)C(=O)c1ccccc1.
What is the InChIKey of 2,2-diamino-1-phenyldecan-1-one?
The InChIKey is SSWVOMYGPZUYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-4-5-6-10-13-16(17,18)15(19)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13,17-18H2,1H3.
What are the key properties of 2,2-diamino-1-phenyldecan-1-one?
2,2-diamino-1-phenyldecan-1-one has a molecular weight of 262.40 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-1-phenyldecan-1-one is sourced from PubChem (CID 67896103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).