tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate

C11H22N2O2 — CID 53486461

IUPACtert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyHGRDDBPZHZEGNY-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate

tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate (PubChem CID 53486461) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate
PubChem CID53486461
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyHGRDDBPZHZEGNY-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate (CID 53486461) is tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1CN.
What is the InChIKey of tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate?
The InChIKey is HGRDDBPZHZEGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate?
tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(aminomethyl)cyclopentyl]carbamate is sourced from PubChem (CID 53486461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).