[2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine

C13H27NO2 — CID 103034482

IUPAC[2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine
SMILESCOC(C)(C)CCOCC1CCCC1CN
InChIInChI=1S/C13H27NO2/c1-13(2,15-3)7-8-16-10-12-6-4-5-11(12)9-14/h11-12H,4-10,14H2,1-3H3
InChIKeyXEIKNCZPIQDWTQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds7

About [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine

[2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine (PubChem CID 103034482) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine
PubChem CID103034482
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine
SMILESCOC(C)(C)CCOCC1CCCC1CN
InChIInChI=1S/C13H27NO2/c1-13(2,15-3)7-8-16-10-12-6-4-5-11(12)9-14/h11-12H,4-10,14H2,1-3H3
InChIKeyXEIKNCZPIQDWTQ-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine (CID 103034482) is [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine is COC(C)(C)CCOCC1CCCC1CN.
What is the InChIKey of [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine?
The InChIKey is XEIKNCZPIQDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,15-3)7-8-16-10-12-6-4-5-11(12)9-14/h11-12H,4-10,14H2,1-3H3.
What are the key properties of [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine?
[2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxy-3-methylbutoxy)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 103034482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).