2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine

C15H31N — CID 82933697

IUPAC2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)C1CCCC1
InChIInChI=1S/C15H31N/c1-5-15(6-2,12-16-11-13(3)4)14-9-7-8-10-14/h13-14,16H,5-12H2,1-4H3
InChIKeyKQLGYWZIUSSOCX-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds7

About 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine

2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 82933697) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID82933697
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)C1CCCC1
InChIInChI=1S/C15H31N/c1-5-15(6-2,12-16-11-13(3)4)14-9-7-8-10-14/h13-14,16H,5-12H2,1-4H3
InChIKeyKQLGYWZIUSSOCX-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine (CID 82933697) is 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine is CCC(CC)(CNCC(C)C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KQLGYWZIUSSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-15(6-2,12-16-11-13(3)4)14-9-7-8-10-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine?
2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 82933697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).