[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite

C7H17ClNO3P — CID 88635380

IUPAC[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
SMILESCCC(C)N(OP(O)OCl)C(C)C
InChIInChI=1S/C7H17ClNO3P/c1-5-7(4)9(6(2)3)12-13(10)11-8/h6-7,10H,5H2,1-4H3
InChIKeyGQOXDBCTEQMJGQ-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.82
Rot. Bonds6

About [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite

[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite (PubChem CID 88635380) has the molecular formula C7H17ClNO3P and a molecular weight of 229.64 g/mol. Its IUPAC name is [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite.

Molecular Properties

Compound Name[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
PubChem CID88635380
Molecular FormulaC7H17ClNO3P
Molecular Weight229.64 g/mol
Exact Mass229.06
IUPAC Name[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
SMILESCCC(C)N(OP(O)OCl)C(C)C
InChIInChI=1S/C7H17ClNO3P/c1-5-7(4)9(6(2)3)12-13(10)11-8/h6-7,10H,5H2,1-4H3
InChIKeyGQOXDBCTEQMJGQ-UHFFFAOYSA-N
XLogP2.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine
CID 89007195
N-[amino(chloro)phosphanyl]oxy-N-propan-2-ylpropan-2-amine
CID 87498471
(2-chloro-2-cyanoethyl)peroxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 54084108
2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
CID 167509215
[di(propan-2-yl)amino]oxymethanol
CID 147473985
2-[2-[butan-2-yl(propan-2-yl)amino]ethyl-(1-hydroxypropan-2-yl)amino]propan-1-ol
CID 22971826
di(butan-2-yl)sulfamic acid
CID 156663387
N,N-bis(dichlorosilyl)butan-2-amine
CID 159107180
[butan-2-yl(propan-2-yl)amino]azanide
CID 163691256
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
(2S)-N-propan-2-yl-N-prop-1-en-2-ylbutan-2-amine
CID 139397588
N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 174368808

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite?
The IUPAC name of [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite (CID 88635380) is [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite.
What is the SMILES notation for [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite?
The canonical SMILES for [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite is CCC(C)N(OP(O)OCl)C(C)C.
What is the InChIKey of [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite?
The InChIKey is GQOXDBCTEQMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClNO3P/c1-5-7(4)9(6(2)3)12-13(10)11-8/h6-7,10H,5H2,1-4H3.
What are the key properties of [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite?
[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite has a molecular weight of 229.64 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite is sourced from PubChem (CID 88635380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).