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

C9H21ClNOP — CID 59067535

IUPACN-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCOP(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C9H21ClNOP/c1-6-7-12-13(10)11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyQBZBCKBGBPLRJT-UHFFFAOYSA-N
MW225.70 g/mol
LogP4.00
Rot. Bonds6

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

N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 59067535) has the molecular formula C9H21ClNOP and a molecular weight of 225.70 g/mol. Its IUPAC name is N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID59067535
Molecular FormulaC9H21ClNOP
Molecular Weight225.70 g/mol
Exact Mass225.10
IUPAC NameN-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCOP(Cl)N(C(C)C)C(C)C
InChIInChI=1S/C9H21ClNOP/c1-6-7-12-13(10)11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyQBZBCKBGBPLRJT-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 59067535) is N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is CCCOP(Cl)N(C(C)C)C(C)C.
What is the InChIKey of N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is QBZBCKBGBPLRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClNOP/c1-6-7-12-13(10)11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 225.70 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(propoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 59067535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).