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

C15H31NO2 — CID 64851969

IUPACN-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCC(COC)NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H31NO2/c1-7-12(10-17-6)16-13-8-14(15(13,4)5)18-9-11(2)3/h11-14,16H,7-10H2,1-6H3
InChIKeyFPJRVFKGIBCEJY-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.84
Rot. Bonds8

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

N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64851969) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64851969
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCCC(COC)NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C15H31NO2/c1-7-12(10-17-6)16-13-8-14(15(13,4)5)18-9-11(2)3/h11-14,16H,7-10H2,1-6H3
InChIKeyFPJRVFKGIBCEJY-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64851969) is N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CCC(COC)NC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is FPJRVFKGIBCEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-12(10-17-6)16-13-8-14(15(13,4)5)18-9-11(2)3/h11-14,16H,7-10H2,1-6H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64851969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).