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

C13H26N2O2 — CID 58962901

IUPACtert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
SMILESCNC1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyACMLSPVXNOQXNU-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds3

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

tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate (PubChem CID 58962901) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
PubChem CID58962901
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
SMILESCNC1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyACMLSPVXNOQXNU-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
CID 105422427
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate (CID 58962901) is tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate is CNC1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate?
The InChIKey is ACMLSPVXNOQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 58962901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).