2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine

C17H33NO2 — CID 116523832

IUPAC2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(CC1CCC(C)(C)O1)C1CCCC1
InChIInChI=1S/C17H33NO2/c1-17(2)9-8-16(20-17)12-15(13-18-10-11-19-3)14-6-4-5-7-14/h14-16,18H,4-13H2,1-3H3
InChIKeySCSZGCUWLCECMC-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds8

About 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine

2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 116523832) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID116523832
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(CC1CCC(C)(C)O1)C1CCCC1
InChIInChI=1S/C17H33NO2/c1-17(2)9-8-16(20-17)12-15(13-18-10-11-19-3)14-6-4-5-7-14/h14-16,18H,4-13H2,1-3H3
InChIKeySCSZGCUWLCECMC-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
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-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116523688
N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
CID 116523829
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 116523809
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
2-cyclopentyl-N-(2-methoxyethyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053577
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 112570185
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
CID 106730380

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine (CID 116523832) is 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(CC1CCC(C)(C)O1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is SCSZGCUWLCECMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-17(2)9-8-16(20-17)12-15(13-18-10-11-19-3)14-6-4-5-7-14/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine?
2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 116523832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).