N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C14H29NO2 — CID 64852136

IUPACN-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCC(C)NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)8-17-13-7-12(14(13,4)5)15-11(3)9-16-6/h10-13,15H,7-9H2,1-6H3
InChIKeyZQOQFGUVVAHVJQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64852136) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64852136
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCOCC(C)NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)8-17-13-7-12(14(13,4)5)15-11(3)9-16-6/h10-13,15H,7-9H2,1-6H3
InChIKeyZQOQFGUVVAHVJQ-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64852136) is N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is COCC(C)NC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is ZQOQFGUVVAHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)8-17-13-7-12(14(13,4)5)15-11(3)9-16-6/h10-13,15H,7-9H2,1-6H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64852136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).