tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate

C18H34N2O2 — CID 107243295

IUPACtert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
SMILESCC1CCCC(NCC2(NC(=O)OC(C)(C)C)CCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14-7-5-8-15(10-9-14)19-13-18(11-6-12-18)20-16(21)22-17(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,21)
InChIKeyMDROJQHRDYYXEE-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate (PubChem CID 107243295) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
PubChem CID107243295
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
SMILESCC1CCCC(NCC2(NC(=O)OC(C)(C)C)CCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-14-7-5-8-15(10-9-14)19-13-18(11-6-12-18)20-16(21)22-17(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,21)
InChIKeyMDROJQHRDYYXEE-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
CID 104537392
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-[[(3-ethoxy-2-methoxycyclobutyl)amino]methyl]cyclobutyl]carbamate
CID 107243350
tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
CID 60545517
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate (CID 107243295) is tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate is CC1CCCC(NCC2(NC(=O)OC(C)(C)C)CCC2)CC1.
What is the InChIKey of tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate?
The InChIKey is MDROJQHRDYYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14-7-5-8-15(10-9-14)19-13-18(11-6-12-18)20-16(21)22-17(2,3)4/h14-15,19H,5-13H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).