N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

C17H39N2OP — CID 90129499

IUPACN-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H39N2OP/c1-13(2)18(14(3)4)21(20-12-17(9,10)11)19(15(5)6)16(7)8/h13-16H,12H2,1-11H3
InChIKeyLSTPIYUOJVCHCT-UHFFFAOYSA-N
MW318.49 g/mol
LogP5.51
Rot. Bonds8

About N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 90129499) has the molecular formula C17H39N2OP and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID90129499
Molecular FormulaC17H39N2OP
Molecular Weight318.49 g/mol
Exact Mass318.28
IUPAC NameN-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(OCC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H39N2OP/c1-13(2)18(14(3)4)21(20-12-17(9,10)11)19(15(5)6)16(7)8/h13-16H,12H2,1-11H3
InChIKeyLSTPIYUOJVCHCT-UHFFFAOYSA-N
XLogP5.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[di(propan-2-yl)amino]-(2,2,3,3,3-pentafluoropropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155410275
S-[1-[2-bis[di(propan-2-yl)amino]phosphanyloxyethoxy]-2-methylpropan-2-yl] 2-methylpropanethioate
CID 58533834
S-[2-[bis[di(propan-2-yl)amino]phosphanyloxymethoxy]ethyl] 2,2-dimethylpropanethioate
CID 45377371
S-[1-[2-bis[di(propan-2-yl)amino]phosphanyloxy-2-methylpropoxy]-2-methylpropan-2-yl] propanethioate
CID 58533901
S-[2-[bis[di(propan-2-yl)amino]phosphanyloxymethoxy]ethyl] 3-amino-2,2-dimethylpropanethioate
CID 89082713
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;ethane;N-propan-2-ylpropan-2-amine
CID 170630587
(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
CID 169306113
N-[[di(propan-2-yl)amino]-[(2-methoxyphenyl)methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155410244
2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol
CID 88867821
N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282
S-[3-bis[di(propan-2-yl)amino]phosphanyloxypropoxymethyl] 2-methylpropanethioate
CID 45377370
N-[[di(propan-2-yl)amino]-[2-(3-fluorophenyl)ethoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 155410293

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 90129499) is N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(OCC(C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is LSTPIYUOJVCHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N2OP/c1-13(2)18(14(3)4)21(20-12-17(9,10)11)19(15(5)6)16(7)8/h13-16H,12H2,1-11H3.
What are the key properties of N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 318.49 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethylpropoxy-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 90129499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).