N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C9H20ClN2OP — CID 91416511

IUPACN-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[H]/N=C/CCOP(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C9H20ClN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h6,8-9,11H,5,7H2,1-4H3/b11-6+
InChIKeyJSYVTPPZTHRAIN-IZZDOVSWSA-N
MW238.70 g/mol
LogP3.63
Rot. Bonds7

About N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 91416511) has the molecular formula C9H20ClN2OP and a molecular weight of 238.70 g/mol. Its IUPAC name is N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID91416511
Molecular FormulaC9H20ClN2OP
Molecular Weight238.70 g/mol
Exact Mass238.10
IUPAC NameN-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILES[H]/N=C/CCOP(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C9H20ClN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h6,8-9,11H,5,7H2,1-4H3/b11-6+
InChIKeyJSYVTPPZTHRAIN-IZZDOVSWSA-N
XLogP3.63
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 91416511) is N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is [H]/N=C/CCOP(Cl)N(C(C)C)C(C)C.
What is the InChIKey of N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is JSYVTPPZTHRAIN-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H20ClN2OP/c1-8(2)12(9(3)4)14(10)13-7-5-6-11/h6,8-9,11H,5,7H2,1-4H3/b11-6+.
What are the key properties of N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 238.70 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 91416511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).