tert-butyl N-(1-iodopentan-2-yl)carbamate

C10H20INO2 — CID 130004386

IUPACtert-butyl N-(1-iodopentan-2-yl)carbamate
SMILESCCCC(CI)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20INO2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyWKEOJUCKBWAHPA-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.11
Rot. Bonds4

About tert-butyl N-(1-iodopentan-2-yl)carbamate

tert-butyl N-(1-iodopentan-2-yl)carbamate (PubChem CID 130004386) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is tert-butyl N-(1-iodopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-iodopentan-2-yl)carbamate
PubChem CID130004386
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC Nametert-butyl N-(1-iodopentan-2-yl)carbamate
SMILESCCCC(CI)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20INO2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyWKEOJUCKBWAHPA-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,5S)-1-iodo-5-methylheptan-2-yl]carbamate
CID 88586039
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 144940972
(3S)-4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118280254
tert-butyl N-[1-(methylamino)heptan-4-yl]carbamate
CID 145027232
methyl 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
CID 88987018
ethyl (Z,6S)-7-iodo-6-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate
CID 11784266
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-iodopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-iodopentan-2-yl)carbamate (CID 130004386) is tert-butyl N-(1-iodopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-iodopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-iodopentan-2-yl)carbamate is CCCC(CI)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-iodopentan-2-yl)carbamate?
The InChIKey is WKEOJUCKBWAHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO2/c1-5-6-8(7-11)12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(1-iodopentan-2-yl)carbamate?
tert-butyl N-(1-iodopentan-2-yl)carbamate has a molecular weight of 313.18 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-iodopentan-2-yl)carbamate is sourced from PubChem (CID 130004386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).