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

C16H32N2O3 — CID 107250332

IUPACtert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CC(C)OC(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-13(18-15(19)21-16(4,5)6)10-17-14-8-11(2)20-12(3)9-14/h11-14,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyXOSNGRPWMCHTEF-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds5

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

tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate (PubChem CID 107250332) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
PubChem CID107250332
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CC(C)OC(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-13(18-15(19)21-16(4,5)6)10-17-14-8-11(2)20-12(3)9-14/h11-14,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyXOSNGRPWMCHTEF-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]-3-methylbutan-2-yl]carbamate
CID 103922940
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
CID 107250254
tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107250634
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250315
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
CID 107250414
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate (CID 107250332) is tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate is CCC(CNC1CC(C)OC(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is XOSNGRPWMCHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-13(18-15(19)21-16(4,5)6)10-17-14-8-11(2)20-12(3)9-14/h11-14,17H,7-10H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 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]butan-2-yl]carbamate is sourced from PubChem (CID 107250332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).