3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate

C11H23IN2O2 — CID 166733434

IUPAC3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate
SMILESCC(C)CNCCCOC(=O)NCC(C)I
InChIInChI=1S/C11H23IN2O2/c1-9(2)7-13-5-4-6-16-11(15)14-8-10(3)12/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyCKMGANRAKIGDNZ-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.17
Rot. Bonds8

About 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate

3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate (PubChem CID 166733434) has the molecular formula C11H23IN2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate.

Molecular Properties

Compound Name3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate
PubChem CID166733434
Molecular FormulaC11H23IN2O2
Molecular Weight342.22 g/mol
Exact Mass342.08
IUPAC Name3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate
SMILESCC(C)CNCCCOC(=O)NCC(C)I
InChIInChI=1S/C11H23IN2O2/c1-9(2)7-13-5-4-6-16-11(15)14-8-10(3)12/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyCKMGANRAKIGDNZ-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate?
The IUPAC name of 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate (CID 166733434) is 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate.
What is the SMILES notation for 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate?
The canonical SMILES for 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate is CC(C)CNCCCOC(=O)NCC(C)I.
What is the InChIKey of 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate?
The InChIKey is CKMGANRAKIGDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IN2O2/c1-9(2)7-13-5-4-6-16-11(15)14-8-10(3)12/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate?
3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate has a molecular weight of 342.22 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate is sourced from PubChem (CID 166733434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).