4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine

C13H27NO — CID 103035737

IUPAC4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCC(C)C1
InChIInChI=1S/C13H27NO/c1-10-5-6-11(9-10)12(14)7-8-13(2,3)15-4/h10-12H,5-9,14H2,1-4H3
InChIKeyQLNORCMSMOTEJR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds5

About 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine

4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine (PubChem CID 103035737) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine
PubChem CID103035737
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCC(C)C1
InChIInChI=1S/C13H27NO/c1-10-5-6-11(9-10)12(14)7-8-13(2,3)15-4/h10-12H,5-9,14H2,1-4H3
InChIKeyQLNORCMSMOTEJR-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine (CID 103035737) is 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine is COC(C)(C)CCC(N)C1CCC(C)C1.
What is the InChIKey of 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine?
The InChIKey is QLNORCMSMOTEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-5-6-11(9-10)12(14)7-8-13(2,3)15-4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine?
4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-amine is sourced from PubChem (CID 103035737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).