N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine

C17H34N2O — CID 114830305

IUPACN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
SMILESCCOC1CC(N)(CN(C)C2CCCCCC2)C1(C)C
InChIInChI=1S/C17H34N2O/c1-5-20-15-12-17(18,16(15,2)3)13-19(4)14-10-8-6-7-9-11-14/h14-15H,5-13,18H2,1-4H3
InChIKeyARFSHBYHIRCAQN-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.17
Rot. Bonds5

About N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine

N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine (PubChem CID 114830305) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
PubChem CID114830305
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine
SMILESCCOC1CC(N)(CN(C)C2CCCCCC2)C1(C)C
InChIInChI=1S/C17H34N2O/c1-5-20-15-12-17(18,16(15,2)3)13-19(4)14-10-8-6-7-9-11-14/h14-15H,5-13,18H2,1-4H3
InChIKeyARFSHBYHIRCAQN-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine (CID 114830305) is N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine is CCOC1CC(N)(CN(C)C2CCCCCC2)C1(C)C.
What is the InChIKey of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine?
The InChIKey is ARFSHBYHIRCAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-20-15-12-17(18,16(15,2)3)13-19(4)14-10-8-6-7-9-11-14/h14-15H,5-13,18H2,1-4H3.
What are the key properties of N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine?
N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine has a molecular weight of 282.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 114830305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).