tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate

C12H24N2O2 — CID 71685847

IUPACtert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CN)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyOJNXXJZVUYXMLE-NXEZZACHSA-N
MW228.34 g/mol
LogP2.03
Rot. Bonds2

About tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate

tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate (PubChem CID 71685847) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
PubChem CID71685847
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CN)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyOJNXXJZVUYXMLE-NXEZZACHSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate (CID 71685847) is tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CN)C1.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate?
The InChIKey is OJNXXJZVUYXMLE-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate?
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate is sourced from PubChem (CID 71685847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).