N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine

C13H27NO — CID 103271735

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
SMILESCCOCC(NC1CCC(C)C1)C(C)C
InChIInChI=1S/C13H27NO/c1-5-15-9-13(10(2)3)14-12-7-6-11(4)8-12/h10-14H,5-9H2,1-4H3
InChIKeyDOQIJSBXWYUFJK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine

N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine (PubChem CID 103271735) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
PubChem CID103271735
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
SMILESCCOCC(NC1CCC(C)C1)C(C)C
InChIInChI=1S/C13H27NO/c1-5-15-9-13(10(2)3)14-12-7-6-11(4)8-12/h10-14H,5-9H2,1-4H3
InChIKeyDOQIJSBXWYUFJK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
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)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine (CID 103271735) is N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine is CCOCC(NC1CCC(C)C1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine?
The InChIKey is DOQIJSBXWYUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-15-9-13(10(2)3)14-12-7-6-11(4)8-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine has a molecular weight of 213.36 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)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 103271735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).