N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine

C6H16ClN2OP — CID 87498471

IUPACN-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(OP(N)Cl)C(C)C
InChIInChI=1S/C6H16ClN2OP/c1-5(2)9(6(3)4)10-11(7)8/h5-6H,8H2,1-4H3
InChIKeySKCDNIBJOGKNLZ-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.46
Rot. Bonds4

About N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine

N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine (PubChem CID 87498471) has the molecular formula C6H16ClN2OP and a molecular weight of 198.63 g/mol. Its IUPAC name is N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine
PubChem CID87498471
Molecular FormulaC6H16ClN2OP
Molecular Weight198.63 g/mol
Exact Mass198.07
IUPAC NameN-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(OP(N)Cl)C(C)C
InChIInChI=1S/C6H16ClN2OP/c1-5(2)9(6(3)4)10-11(7)8/h5-6H,8H2,1-4H3
InChIKeySKCDNIBJOGKNLZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropoxy)-N-propan-2-ylpropan-2-amine
CID 19988564
[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
CID 88635380
2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
CID 167509215
N-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-2-amine
CID 22223473
N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282
amino-[bis[di(propan-2-yl)amino]methoxy]phosphinite
CID 86640486
(2-chloro-2-cyanoethyl)peroxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 54084108
[di(propan-2-yl)amino]oxymethanol
CID 147473985
N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine
CID 89007195
5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine
CID 91296452
[di(propan-2-yl)amino]oxy-hydroxy-oxophosphanium
CID 88813225
chloro-[[di(propan-2-yl)amino]methylperoxy]phosphinous acid
CID 19786291

Frequently Asked Questions

What is the IUPAC name of N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine (CID 87498471) is N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine is CC(C)N(OP(N)Cl)C(C)C.
What is the InChIKey of N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine?
The InChIKey is SKCDNIBJOGKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16ClN2OP/c1-5(2)9(6(3)4)10-11(7)8/h5-6H,8H2,1-4H3.
What are the key properties of N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine?
N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine has a molecular weight of 198.63 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 87498471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).