3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine

C15H29NO — CID 114249124

IUPAC3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OCC1CCCCCC1
InChIInChI=1S/C15H29NO/c1-3-15(2)13(16)10-14(15)17-11-12-8-6-4-5-7-9-12/h12-14H,3-11,16H2,1-2H3
InChIKeyHRUPLJGFPHPPFZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds4

About 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine

3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 114249124) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID114249124
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OCC1CCCCCC1
InChIInChI=1S/C15H29NO/c1-3-15(2)13(16)10-14(15)17-11-12-8-6-4-5-7-9-12/h12-14H,3-11,16H2,1-2H3
InChIKeyHRUPLJGFPHPPFZ-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine (CID 114249124) is 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1OCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is HRUPLJGFPHPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-15(2)13(16)10-14(15)17-11-12-8-6-4-5-7-9-12/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine?
3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 114249124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).