2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine

C16H33NO — CID 106457280

IUPAC2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)COCCC(CNC(C)C)C1CCCC1
InChIInChI=1S/C16H33NO/c1-13(2)12-18-10-9-16(11-17-14(3)4)15-7-5-6-8-15/h13-17H,5-12H2,1-4H3
InChIKeyTWUFCWLCVCTRHZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds9

About 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine

2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 106457280) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
PubChem CID106457280
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)COCCC(CNC(C)C)C1CCCC1
InChIInChI=1S/C16H33NO/c1-13(2)12-18-10-9-16(11-17-14(3)4)15-7-5-6-8-15/h13-17H,5-12H2,1-4H3
InChIKeyTWUFCWLCVCTRHZ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
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 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine (CID 106457280) is 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine is CC(C)COCCC(CNC(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is TWUFCWLCVCTRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)12-18-10-9-16(11-17-14(3)4)15-7-5-6-8-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 106457280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).