N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine

C14H28N2O — CID 64850362

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine
SMILESCCOC1CC(NC2CCCN(C)C2)C1(C)C
InChIInChI=1S/C14H28N2O/c1-5-17-13-9-12(14(13,2)3)15-11-7-6-8-16(4)10-11/h11-13,15H,5-10H2,1-4H3
InChIKeyMMESRBDPLOGUCE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine (PubChem CID 64850362) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine
PubChem CID64850362
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine
SMILESCCOC1CC(NC2CCCN(C)C2)C1(C)C
InChIInChI=1S/C14H28N2O/c1-5-17-13-9-12(14(13,2)3)15-11-7-6-8-16(4)10-11/h11-13,15H,5-10H2,1-4H3
InChIKeyMMESRBDPLOGUCE-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine (CID 64850362) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine is CCOC1CC(NC2CCCN(C)C2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine?
The InChIKey is MMESRBDPLOGUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-17-13-9-12(14(13,2)3)15-11-7-6-8-16(4)10-11/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 64850362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).