tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate

C17H34N2O3 — CID 103922940

IUPACtert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate
SMILESCC1CC(NCC(NC(=O)OC(C)(C)C)C(C)C)CC(C)O1
InChIInChI=1S/C17H34N2O3/c1-11(2)15(19-16(20)22-17(5,6)7)10-18-14-8-12(3)21-13(4)9-14/h11-15,18H,8-10H2,1-7H3,(H,19,20)
InChIKeyNLBSMDWSCHBESG-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds5

About tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate

tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate (PubChem CID 103922940) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate
PubChem CID103922940
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate
SMILESCC1CC(NCC(NC(=O)OC(C)(C)C)C(C)C)CC(C)O1
InChIInChI=1S/C17H34N2O3/c1-11(2)15(19-16(20)22-17(5,6)7)10-18-14-8-12(3)21-13(4)9-14/h11-15,18H,8-10H2,1-7H3,(H,19,20)
InChIKeyNLBSMDWSCHBESG-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107250332
tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate
CID 107248841
tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
CID 103930694
tert-butyl N-[3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103783956
methyl 3-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]cyclohexane-1-carboxylate
CID 112753638
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate (CID 103922940) is tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate is CC1CC(NCC(NC(=O)OC(C)(C)C)C(C)C)CC(C)O1.
What is the InChIKey of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate?
The InChIKey is NLBSMDWSCHBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-11(2)15(19-16(20)22-17(5,6)7)10-18-14-8-12(3)21-13(4)9-14/h11-15,18H,8-10H2,1-7H3,(H,19,20).
What are the key properties of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 103922940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).