N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine

C13H27NO — CID 79620356

IUPACN-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)COC1CCC1
InChIInChI=1S/C13H27NO/c1-12(2,3)14-9-13(4,5)10-15-11-7-6-8-11/h11,14H,6-10H2,1-5H3
InChIKeyHSYLFDIIOXJGMV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine

N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine (PubChem CID 79620356) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine
PubChem CID79620356
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)COC1CCC1
InChIInChI=1S/C13H27NO/c1-12(2,3)14-9-13(4,5)10-15-11-7-6-8-11/h11,14H,6-10H2,1-5H3
InChIKeyHSYLFDIIOXJGMV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79621156
3-cycloheptyloxy-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626713
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
2,2,2-triethoxyethoxycyclobutane
CID 159766824
N-tert-butyl-4-cyclopentyloxybutan-1-amine
CID 62443463
3-cyclobutyloxy-2,2-difluoro-N-propan-2-ylpropan-1-amine
CID 165467212
1-(3-bromo-2,2-dimethylpropoxy)-4-methylcyclohexane
CID 64994565
N'-tert-butyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]ethane-1,2-diamine
CID 107445272
2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
CID 81217769
N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 79621830
3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 62141602
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine (CID 79620356) is N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine is CC(C)(CNC(C)(C)C)COC1CCC1.
What is the InChIKey of N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine?
The InChIKey is HSYLFDIIOXJGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)14-9-13(4,5)10-15-11-7-6-8-11/h11,14H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79620356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).