tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate

C18H36N2O2 — CID 107246654

IUPACtert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
SMILESCC1CCCC(CNCC(C)CN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-14-8-7-9-16(10-14)12-19-11-15(2)13-20(6)17(21)22-18(3,4)5/h14-16,19H,7-13H2,1-6H3
InChIKeyPBGWJWRTIDEMKY-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.91
Rot. Bonds6

About tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate

tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate (PubChem CID 107246654) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
PubChem CID107246654
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
SMILESCC1CCCC(CNCC(C)CN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H36N2O2/c1-14-8-7-9-16(10-14)12-19-11-15(2)13-20(6)17(21)22-18(3,4)5/h14-16,19H,7-13H2,1-6H3
InChIKeyPBGWJWRTIDEMKY-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
CID 103897090
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate
CID 107246781
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
tert-butyl N-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107246629
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate (CID 107246654) is tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate is CC1CCCC(CNCC(C)CN(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate?
The InChIKey is PBGWJWRTIDEMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-14-8-7-9-16(10-14)12-19-11-15(2)13-20(6)17(21)22-18(3,4)5/h14-16,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate?
tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 3.91, 6 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-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate is sourced from PubChem (CID 107246654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).