1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine

C12H25NO2 — CID 102927812

IUPAC1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)CC1CCCC1
InChIInChI=1S/C12H25NO2/c1-14-8-9-15-7-6-12(13)10-11-4-2-3-5-11/h11-12H,2-10,13H2,1H3
InChIKeyWWJYQLZXEJVWTA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds8

About 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine

1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102927812) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102927812
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)CC1CCCC1
InChIInChI=1S/C12H25NO2/c1-14-8-9-15-7-6-12(13)10-11-4-2-3-5-11/h11-12H,2-10,13H2,1H3
InChIKeyWWJYQLZXEJVWTA-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
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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Related Compounds

1-Cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148020
1-Cyclopentyl-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148890
1-(3,3-Difluorocyclohexyl)-4-(2-methoxyethoxy)butan-2-amine
CID 114224955
1-(3,3-difluorocyclopentyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 114224956
1-(3-Amino-5-ethylnonoxy)-5-ethylnonan-3-amine
CID 87981813
5-Butan-2-yl-4-ethoxyoxolan-3-amine
CID 89400068
5-Butan-2-yl-4-propoxyoxolan-3-amine
CID 89948262
(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine
CID 90441507
3-(Oxolan-2-yl)butan-2-amine
CID 130577762
1-Ethoxy-5-ethyloctan-4-amine
CID 139313408
5-Methyloxonane-4,7-diamine
CID 153779710
1-Cyclopentyl-3-methoxypropan-1-amine
CID 61412921

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine (CID 102927812) is 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine is COCCOCCC(N)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is WWJYQLZXEJVWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-14-8-9-15-7-6-12(13)10-11-4-2-3-5-11/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine?
1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102927812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).