5-cyclopentyl-2,2-dimethoxypentan-1-amine

C12H25NO2 — CID 70289863

IUPAC5-cyclopentyl-2,2-dimethoxypentan-1-amine
SMILESCOC(CN)(CCCC1CCCC1)OC
InChIInChI=1S/C12H25NO2/c1-14-12(10-13,15-2)9-5-8-11-6-3-4-7-11/h11H,3-10,13H2,1-2H3
InChIKeyFUJKDDBTTRLKLC-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.29
Rot. Bonds7

About 5-cyclopentyl-2,2-dimethoxypentan-1-amine

5-cyclopentyl-2,2-dimethoxypentan-1-amine (PubChem CID 70289863) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-cyclopentyl-2,2-dimethoxypentan-1-amine.

Molecular Properties

Compound Name5-cyclopentyl-2,2-dimethoxypentan-1-amine
PubChem CID70289863
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-cyclopentyl-2,2-dimethoxypentan-1-amine
SMILESCOC(CN)(CCCC1CCCC1)OC
InChIInChI=1S/C12H25NO2/c1-14-12(10-13,15-2)9-5-8-11-6-3-4-7-11/h11H,3-10,13H2,1-2H3
InChIKeyFUJKDDBTTRLKLC-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2,2-dimethoxypentan-1-amine?
The IUPAC name of 5-cyclopentyl-2,2-dimethoxypentan-1-amine (CID 70289863) is 5-cyclopentyl-2,2-dimethoxypentan-1-amine.
What is the SMILES notation for 5-cyclopentyl-2,2-dimethoxypentan-1-amine?
The canonical SMILES for 5-cyclopentyl-2,2-dimethoxypentan-1-amine is COC(CN)(CCCC1CCCC1)OC.
What is the InChIKey of 5-cyclopentyl-2,2-dimethoxypentan-1-amine?
The InChIKey is FUJKDDBTTRLKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-14-12(10-13,15-2)9-5-8-11-6-3-4-7-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 5-cyclopentyl-2,2-dimethoxypentan-1-amine?
5-cyclopentyl-2,2-dimethoxypentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2,2-dimethoxypentan-1-amine is sourced from PubChem (CID 70289863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).