tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate

C16H30N2O2 — CID 103948953

IUPACtert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
SMILESCC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-13-7-5-12(6-8-13)17-11-16(4)9-10-16/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyTWHRXSKZBDNPTH-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate

tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate (PubChem CID 103948953) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
PubChem CID103948953
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
SMILESCC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-13-7-5-12(6-8-13)17-11-16(4)9-10-16/h12-13,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyTWHRXSKZBDNPTH-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 114116040
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103949188
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate (CID 103948953) is tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate is CC1(CNC2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate?
The InChIKey is TWHRXSKZBDNPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-13-7-5-12(6-8-13)17-11-16(4)9-10-16/h12-13,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103948953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).