N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C18H33NO — CID 64851744

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCOC1CC(NC2C3(C)CCC(C3)C2(C)C)C1(C)C
InChIInChI=1S/C18H33NO/c1-7-20-14-10-13(17(14,4)5)19-15-16(2,3)12-8-9-18(15,6)11-12/h12-15,19H,7-11H2,1-6H3
InChIKeyKYTWCNRFDUOXFX-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.99
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 64851744) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID64851744
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCCOC1CC(NC2C3(C)CCC(C3)C2(C)C)C1(C)C
InChIInChI=1S/C18H33NO/c1-7-20-14-10-13(17(14,4)5)19-15-16(2,3)12-8-9-18(15,6)11-12/h12-15,19H,7-11H2,1-6H3
InChIKeyKYTWCNRFDUOXFX-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 64851744) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is CCOC1CC(NC2C3(C)CCC(C3)C2(C)C)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is KYTWCNRFDUOXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-7-20-14-10-13(17(14,4)5)19-15-16(2,3)12-8-9-18(15,6)11-12/h12-15,19H,7-11H2,1-6H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 64851744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).