tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate

C19H30N2O2 — CID 68550371

IUPACtert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
SMILESCC1CCC(NCc2ccccc2)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14-10-11-16(20-13-15-8-6-5-7-9-15)12-17(14)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyYPLVNMLARSNEIW-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.86
Rot. Bonds4

About tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate

tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate (PubChem CID 68550371) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
PubChem CID68550371
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
SMILESCC1CCC(NCc2ccccc2)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14-10-11-16(20-13-15-8-6-5-7-9-15)12-17(14)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyYPLVNMLARSNEIW-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(benzylamino)cyclohex-2-en-1-yl]carbamate
CID 130003473
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146439320
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate (CID 68550371) is tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate is CC1CCC(NCc2ccccc2)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate?
The InChIKey is YPLVNMLARSNEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-10-11-16(20-13-15-8-6-5-7-9-15)12-17(14)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate?
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate is sourced from PubChem (CID 68550371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).