5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine

C14H29NO2 — CID 106665417

IUPAC5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(OCCC(C)(C)OC)CCC1(C)C
InChIInChI=1S/C14H29NO2/c1-13(2)8-7-11(12(13)15-5)17-10-9-14(3,4)16-6/h11-12,15H,7-10H2,1-6H3
InChIKeyQHTCXRRUUWVJQJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.59
Rot. Bonds6

About 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine

5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 106665417) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID106665417
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(OCCC(C)(C)OC)CCC1(C)C
InChIInChI=1S/C14H29NO2/c1-13(2)8-7-11(12(13)15-5)17-10-9-14(3,4)16-6/h11-12,15H,7-10H2,1-6H3
InChIKeyQHTCXRRUUWVJQJ-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine (CID 106665417) is 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(OCCC(C)(C)OC)CCC1(C)C.
What is the InChIKey of 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is QHTCXRRUUWVJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)8-7-11(12(13)15-5)17-10-9-14(3,4)16-6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine?
5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylbutoxy)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106665417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).