butyl N-(1-iodopropan-2-yl)carbamate

C8H16INO2 — CID 54517423

IUPACbutyl N-(1-iodopropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)CI
InChIInChI=1S/C8H16INO2/c1-3-4-5-12-8(11)10-7(2)6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyYNJFNLUKZNKHKU-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.34
Rot. Bonds5

About butyl N-(1-iodopropan-2-yl)carbamate

butyl N-(1-iodopropan-2-yl)carbamate (PubChem CID 54517423) has the molecular formula C8H16INO2 and a molecular weight of 285.12 g/mol. Its IUPAC name is butyl N-(1-iodopropan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-iodopropan-2-yl)carbamate
PubChem CID54517423
Molecular FormulaC8H16INO2
Molecular Weight285.12 g/mol
Exact Mass285.02
IUPAC Namebutyl N-(1-iodopropan-2-yl)carbamate
SMILESCCCCOC(=O)NC(C)CI
InChIInChI=1S/C8H16INO2/c1-3-4-5-12-8(11)10-7(2)6-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyYNJFNLUKZNKHKU-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

butyl N-(1-aminoethyl)carbamate
CID 87930052
hexyl 3-(hexoxycarbonylamino)butanoate
CID 91729746
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
butyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 151488236
decyl 3-(propoxycarbonylamino)butanoate
CID 91714376
methyl (2R)-2-(butoxycarbonylamino)butanoate
CID 137445344
hexyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate
CID 20837340
propan-2-yl (3S)-2-(butoxycarbonylamino)-3-hydroxybutanoate
CID 87984973
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
butyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 163133686
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
butyl N-(1-phenylethyl)carbamate
CID 571821

Frequently Asked Questions

What is the IUPAC name of butyl N-(1-iodopropan-2-yl)carbamate?
The IUPAC name of butyl N-(1-iodopropan-2-yl)carbamate (CID 54517423) is butyl N-(1-iodopropan-2-yl)carbamate.
What is the SMILES notation for butyl N-(1-iodopropan-2-yl)carbamate?
The canonical SMILES for butyl N-(1-iodopropan-2-yl)carbamate is CCCCOC(=O)NC(C)CI.
What is the InChIKey of butyl N-(1-iodopropan-2-yl)carbamate?
The InChIKey is YNJFNLUKZNKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-3-4-5-12-8(11)10-7(2)6-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of butyl N-(1-iodopropan-2-yl)carbamate?
butyl N-(1-iodopropan-2-yl)carbamate has a molecular weight of 285.12 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-iodopropan-2-yl)carbamate is sourced from PubChem (CID 54517423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).