N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine

C14H27NO — CID 103271671

IUPACN-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCCOCC(NC1CC2CCC1C2)C(C)C
InChIInChI=1S/C14H27NO/c1-4-16-9-14(10(2)3)15-13-8-11-5-6-12(13)7-11/h10-15H,4-9H2,1-3H3
InChIKeyBYGLBHLMJQMEMT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine

N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 103271671) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID103271671
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCCOCC(NC1CC2CCC1C2)C(C)C
InChIInChI=1S/C14H27NO/c1-4-16-9-14(10(2)3)15-13-8-11-5-6-12(13)7-11/h10-15H,4-9H2,1-3H3
InChIKeyBYGLBHLMJQMEMT-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 103271671) is N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine is CCOCC(NC1CC2CCC1C2)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BYGLBHLMJQMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-16-9-14(10(2)3)15-13-8-11-5-6-12(13)7-11/h10-15H,4-9H2,1-3H3.
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine?
N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103271671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).