N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine

C13H27NO — CID 103033175

IUPACN-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCCC1CCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)9-11-14-10-8-12-6-4-5-7-12/h12,14H,4-11H2,1-3H3
InChIKeyKKFBDOXFLWSSPG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine

N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033175) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103033175
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCCC1CCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)9-11-14-10-8-12-6-4-5-7-12/h12,14H,4-11H2,1-3H3
InChIKeyKKFBDOXFLWSSPG-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine (CID 103033175) is N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is KKFBDOXFLWSSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,15-3)9-11-14-10-8-12-6-4-5-7-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine?
N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).