tert-butyl N-butyl-N-(iodomethyl)carbamate

C10H20INO2 — CID 135059863

IUPACtert-butyl N-butyl-N-(iodomethyl)carbamate
SMILESCCCCN(CI)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20INO2/c1-5-6-7-12(8-11)9(13)14-10(2,3)4/h5-8H2,1-4H3
InChIKeyBLCLMZYVXQDVKO-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-butyl-N-(iodomethyl)carbamate

tert-butyl N-butyl-N-(iodomethyl)carbamate (PubChem CID 135059863) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is tert-butyl N-butyl-N-(iodomethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-(iodomethyl)carbamate
PubChem CID135059863
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC Nametert-butyl N-butyl-N-(iodomethyl)carbamate
SMILESCCCCN(CI)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20INO2/c1-5-6-7-12(8-11)9(13)14-10(2,3)4/h5-8H2,1-4H3
InChIKeyBLCLMZYVXQDVKO-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-Boc-pyrrolidine
CID 643455
Tert-butyl 3-iodoazetidine-1-carboxylate
CID 11000522
tert-Butyl 3-iodopyrrolidine-1-carboxylate
CID 23251108
tert-Butyl 3-(iodomethyl)azetidine-1-carboxylate
CID 53249943
N-Boc-N-methyl-4-amino-2-butanone
CID 23589007
tert-butyl N-methyl-N-(2-methylpropyl)carbamate
CID 11095337
tert-Butyl diethylcarbamate
CID 13314074
tert-Butyl ethyl(methyl)carbamate
CID 14271611
tert-butyl N-methyl-N-propylcarbamate
CID 14271612
tert-butyl N-butan-2-yl-N-methylcarbamate
CID 14663480
N,N-Bis[(tert-butoxy)carbonyl]-4-iodobutanamine
CID 15719228
tert-butyl N-butyl-N-methylcarbamate
CID 18005800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-(iodomethyl)carbamate?
The IUPAC name of tert-butyl N-butyl-N-(iodomethyl)carbamate (CID 135059863) is tert-butyl N-butyl-N-(iodomethyl)carbamate.
What is the SMILES notation for tert-butyl N-butyl-N-(iodomethyl)carbamate?
The canonical SMILES for tert-butyl N-butyl-N-(iodomethyl)carbamate is CCCCN(CI)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butyl-N-(iodomethyl)carbamate?
The InChIKey is BLCLMZYVXQDVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO2/c1-5-6-7-12(8-11)9(13)14-10(2,3)4/h5-8H2,1-4H3.
What are the key properties of tert-butyl N-butyl-N-(iodomethyl)carbamate?
tert-butyl N-butyl-N-(iodomethyl)carbamate has a molecular weight of 313.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-(iodomethyl)carbamate is sourced from PubChem (CID 135059863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).