2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine

C17H35NO3 — CID 104566896

IUPAC2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCOCCOCCOCCC(CNC(C)C)C1CCCC1
InChIInChI=1S/C17H35NO3/c1-15(2)18-14-17(16-6-4-5-7-16)8-9-20-12-13-21-11-10-19-3/h15-18H,4-14H2,1-3H3
InChIKeyIYVLSRLUVCPWNJ-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.86
Rot. Bonds13

About 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine

2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine (PubChem CID 104566896) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
PubChem CID104566896
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
SMILESCOCCOCCOCCC(CNC(C)C)C1CCCC1
InChIInChI=1S/C17H35NO3/c1-15(2)18-14-17(16-6-4-5-7-16)8-9-20-12-13-21-11-10-19-3/h15-18H,4-14H2,1-3H3
InChIKeyIYVLSRLUVCPWNJ-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106457280
2-cyclopentyl-5-(2-methoxyethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103412733
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane
CID 103411923
N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine
CID 112570082
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082
2-cyclopentyl-4-methyl-N-propan-2-ylhexan-1-amine
CID 112569973
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine (CID 104566896) is 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine is COCCOCCOCCC(CNC(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is IYVLSRLUVCPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-15(2)18-14-17(16-6-4-5-7-16)8-9-20-12-13-21-11-10-19-3/h15-18H,4-14H2,1-3H3.
What are the key properties of 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine?
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 301.47 g/mol, XLogP of 2.86, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 104566896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).