1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one

C21H45N2OP — CID 135223609

IUPAC1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one
SMILESCCCCCCCC(=O)CP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C21H45N2OP/c1-10-11-12-13-14-15-21(24)16-25(22(17(2)3)18(4)5)23(19(6)7)20(8)9/h17-20H,10-16H2,1-9H3
InChIKeyBSCJCAAUGSHBEC-UHFFFAOYSA-N
MW372.58 g/mol
LogP6.47
Rot. Bonds14

About 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one

1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one (PubChem CID 135223609) has the molecular formula C21H45N2OP and a molecular weight of 372.58 g/mol. Its IUPAC name is 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one.

Molecular Properties

Compound Name1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one
PubChem CID135223609
Molecular FormulaC21H45N2OP
Molecular Weight372.58 g/mol
Exact Mass372.33
IUPAC Name1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one
SMILESCCCCCCCC(=O)CP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C21H45N2OP/c1-10-11-12-13-14-15-21(24)16-25(22(17(2)3)18(4)5)23(19(6)7)20(8)9/h17-20H,10-16H2,1-9H3
InChIKeyBSCJCAAUGSHBEC-UHFFFAOYSA-N
XLogP6.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
2-methylhexadecan-4-one
CID 63411798
pentadecane-2,7-dione
CID 15360002
1-[[(2R,3S,4S,5S)-2-(deuteriomethyl)-4,5-dimethyloxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]nonan-2-one
CID 159596103
2-methyltetradecan-5-one
CID 19931308

Frequently Asked Questions

What is the IUPAC name of 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one?
The IUPAC name of 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one (CID 135223609) is 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one.
What is the SMILES notation for 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one?
The canonical SMILES for 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one is CCCCCCCC(=O)CP(N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one?
The InChIKey is BSCJCAAUGSHBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N2OP/c1-10-11-12-13-14-15-21(24)16-25(22(17(2)3)18(4)5)23(19(6)7)20(8)9/h17-20H,10-16H2,1-9H3.
What are the key properties of 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one?
1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one has a molecular weight of 372.58 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis[di(propan-2-yl)amino]phosphanylnonan-2-one is sourced from PubChem (CID 135223609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).