tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate

C15H30N2O3 — CID 103897090

IUPACtert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
SMILESCC(CNCC1CCOC1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-12(8-16-9-13-6-7-19-11-13)10-17(5)14(18)20-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyLOBZJIUTYIZUBE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.12
Rot. Bonds6

About tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate

tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate (PubChem CID 103897090) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
PubChem CID103897090
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
SMILESCC(CNCC1CCOC1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-12(8-16-9-13-6-7-19-11-13)10-17(5)14(18)20-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyLOBZJIUTYIZUBE-UHFFFAOYSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
CID 107246654
tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate
CID 107246781
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
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
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate (CID 103897090) is tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate is CC(CNCC1CCOC1)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate?
The InChIKey is LOBZJIUTYIZUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(8-16-9-13-6-7-19-11-13)10-17(5)14(18)20-15(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate?
tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103897090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).