1-cyclopentyl-4-methoxy-4-methylpentan-2-amine

C12H25NO — CID 103025145

IUPAC1-cyclopentyl-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)CC1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,14-3)9-11(13)8-10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyQILPJTPMSZNKIY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine

1-cyclopentyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 103025145) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methoxy-4-methylpentan-2-amine
PubChem CID103025145
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopentyl-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)CC1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,14-3)9-11(13)8-10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3
InChIKeyQILPJTPMSZNKIY-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine (CID 103025145) is 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is QILPJTPMSZNKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,14-3)9-11(13)8-10-6-4-5-7-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine?
1-cyclopentyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103025145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).