tert-butyl N-(3-cyanopentan-3-yl)carbamate

C11H20N2O2 — CID 47002795

IUPACtert-butyl N-(3-cyanopentan-3-yl)carbamate
SMILESCCC(C#N)(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-6-11(7-2,8-12)13-9(14)15-10(3,4)5/h6-7H2,1-5H3,(H,13,14)
InChIKeyBNJFJTONSZBXDN-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-(3-cyanopentan-3-yl)carbamate

tert-butyl N-(3-cyanopentan-3-yl)carbamate (PubChem CID 47002795) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-(3-cyanopentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyanopentan-3-yl)carbamate
PubChem CID47002795
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-(3-cyanopentan-3-yl)carbamate
SMILESCCC(C#N)(CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-6-11(7-2,8-12)13-9(14)15-10(3,4)5/h6-7H2,1-5H3,(H,13,14)
InChIKeyBNJFJTONSZBXDN-UHFFFAOYSA-N
XLogP2.59
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-cyano-1,5-dimethoxypentan-3-yl)carbamate
CID 90052280
(3R)-3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10966249
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-(3-carbamothioylpentan-3-yl)carbamate
CID 61338393
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
ethyl 1-[1-cyano-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate
CID 66785726
ethyl 6-amino-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 54305171
tert-butyl N-(2-cyanopropan-2-ylamino)carbamate
CID 45091909
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
CID 103714780
tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
CID 163506370
tert-butyl N-(1-chloro-1-cyano-2-phenylethyl)carbamate
CID 68787554
ethyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134372681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyanopentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-cyanopentan-3-yl)carbamate (CID 47002795) is tert-butyl N-(3-cyanopentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyanopentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyanopentan-3-yl)carbamate is CCC(C#N)(CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-cyanopentan-3-yl)carbamate?
The InChIKey is BNJFJTONSZBXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6-11(7-2,8-12)13-9(14)15-10(3,4)5/h6-7H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-(3-cyanopentan-3-yl)carbamate?
tert-butyl N-(3-cyanopentan-3-yl)carbamate has a molecular weight of 212.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyanopentan-3-yl)carbamate is sourced from PubChem (CID 47002795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).