tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate

C14H26N2O3 — CID 82379242

IUPACtert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)CN)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-9-10-4-6-11(7-5-10)12(17)8-15/h10-11H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyQBAAYPMWWYMMHT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.85
Rot. Bonds4

About tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate (PubChem CID 82379242) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
PubChem CID82379242
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)CN)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-9-10-4-6-11(7-5-10)12(17)8-15/h10-11H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyQBAAYPMWWYMMHT-UHFFFAOYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[4-(hydrazinecarbonyl)cyclohexyl]methyl]carbamate;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 159364298
tert-butyl N-[[4-(hydrazinecarbonyl)cyclohexyl]methyl]carbamate;methane;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 162100477
tert-butyl N-[[4-(2-iminoacetyl)cyclohexyl]methyl]carbamate
CID 126593487
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
CID 67232140
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
CID 139022576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate (CID 82379242) is tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(=O)CN)CC1.
What is the InChIKey of tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate?
The InChIKey is QBAAYPMWWYMMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-9-10-4-6-11(7-5-10)12(17)8-15/h10-11H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 82379242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).