tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate

C17H34N2O3 — CID 103991365

IUPACtert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
SMILESCCCC1CC(NCC(C)(C)NC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C17H34N2O3/c1-7-8-14-11-13(9-10-21-14)18-12-17(5,6)19-15(20)22-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyAQMZPJRLXWNWBN-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.23
Rot. Bonds6

About tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate (PubChem CID 103991365) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
PubChem CID103991365
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
SMILESCCCC1CC(NCC(C)(C)NC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C17H34N2O3/c1-7-8-14-11-13(9-10-21-14)18-12-17(5,6)19-15(20)22-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyAQMZPJRLXWNWBN-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247104
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
CID 107246501
tert-butyl N-[1-[[(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-2-methylpropan-2-yl]carbamate
CID 99851463
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
3-[(2-ethyloxan-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106173039
3-[[(2-ethyloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105246
tert-butyl 3-[[(2-ethyloxan-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242518

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate (CID 103991365) is tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate is CCCC1CC(NCC(C)(C)NC(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate?
The InChIKey is AQMZPJRLXWNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-7-8-14-11-13(9-10-21-14)18-12-17(5,6)19-15(20)22-16(2,3)4/h13-14,18H,7-12H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 103991365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).