tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate

C17H35N3O2 — CID 103748342

IUPACtert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate
SMILESCC(CNC1CCN(C(C)C)C1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-13(2)20-9-8-15(12-20)18-10-14(3)11-19(7)16(21)22-17(4,5)6/h13-15,18H,8-12H2,1-7H3
InChIKeyDLLYUDUQLYZDBA-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.56
Rot. Bonds6

About tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate

tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate (PubChem CID 103748342) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate
PubChem CID103748342
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate
SMILESCC(CNC1CCN(C(C)C)C1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-13(2)20-9-8-15(12-20)18-10-14(3)11-19(7)16(21)22-17(4,5)6/h13-15,18H,8-12H2,1-7H3
InChIKeyDLLYUDUQLYZDBA-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
tert-butyl N-[3-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 111117828
tert-butyl N-[3-[(4,4-dimethylthian-3-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246624
tert-butyl N-[3-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]-2-methylpropyl]-N-methylcarbamate;hydroiodide
CID 111117827
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-methyl-N-[2-methyl-3-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]propyl]carbamate;hydroiodide
CID 111117823
tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
CID 97028935
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl N-[(2S)-3-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 95620427
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103783956

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate (CID 103748342) is tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate is CC(CNC1CCN(C(C)C)C1)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate?
The InChIKey is DLLYUDUQLYZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-13(2)20-9-8-15(12-20)18-10-14(3)11-19(7)16(21)22-17(4,5)6/h13-15,18H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate?
tert-butyl N-methyl-N-[2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.56, 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-[(1-propan-2-ylpyrrolidin-3-yl)amino]propyl]carbamate is sourced from PubChem (CID 103748342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).