tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate

C18H34N2O2 — CID 107255892

IUPACtert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
SMILESCC1CCC(NC2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-13-6-7-15(12-13)19-14-8-10-16(11-9-14)20(5)17(21)22-18(2,3)4/h13-16,19H,6-12H2,1-5H3
InChIKeyDBYKZAKUHSMHGY-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.94
Rot. Bonds3

About tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate

tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate (PubChem CID 107255892) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
PubChem CID107255892
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
SMILESCC1CCC(NC2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-13-6-7-15(12-13)19-14-8-10-16(11-9-14)20(5)17(21)22-18(2,3)4/h13-16,19H,6-12H2,1-5H3
InChIKeyDBYKZAKUHSMHGY-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255901
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
CID 115653281
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
CID 107255820
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103700806
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate (CID 107255892) is tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate is CC1CCC(NC2CCC(N(C)C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate?
The InChIKey is DBYKZAKUHSMHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13-6-7-15(12-13)19-14-8-10-16(11-9-14)20(5)17(21)22-18(2,3)4/h13-16,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate?
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 107255892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).