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

C16H32N2O3 — CID 107247031

IUPACtert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCC(CCNC1CCOC(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(18-14(19)21-15(2,3)4)7-9-17-13-8-10-20-16(5,6)11-13/h12-13,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyGYNNKVFQYBCGKD-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds5

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

tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate (PubChem CID 107247031) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
PubChem CID107247031
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCC(CCNC1CCOC(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-12(18-14(19)21-15(2,3)4)7-9-17-13-8-10-20-16(5,6)11-13/h12-13,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyGYNNKVFQYBCGKD-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-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247104
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[4-[(5,5-dimethylthian-3-yl)amino]butan-2-yl]carbamate
CID 107247036
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl 3-[2-[(2,2-dimethyloxan-4-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107249108
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
tert-butyl N-[1-cyclopropyl-2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]carbamate
CID 107243982
5-[(2,2-dimethyloxan-4-yl)amino]-2-methylpentan-1-ol
CID 106158085
3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
CID 83032728
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate (CID 107247031) is tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate is CC(CCNC1CCOC(C)(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is GYNNKVFQYBCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(18-14(19)21-15(2,3)4)7-9-17-13-8-10-20-16(5,6)11-13/h12-13,17H,7-11H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-[(2,2-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-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107247031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).