2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine

C15H30N2 — CID 115210522

IUPAC2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
SMILESCC(C)(CNCCC1CCCN1)C1CCCC1
InChIInChI=1S/C15H30N2/c1-15(2,13-6-3-4-7-13)12-16-11-9-14-8-5-10-17-14/h13-14,16-17H,3-12H2,1-2H3
InChIKeyAYAGSDVCXKHBLN-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.93
Rot. Bonds6

About 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine

2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine (PubChem CID 115210522) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
PubChem CID115210522
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
SMILESCC(C)(CNCCC1CCCN1)C1CCCC1
InChIInChI=1S/C15H30N2/c1-15(2,13-6-3-4-7-13)12-16-11-9-14-8-5-10-17-14/h13-14,16-17H,3-12H2,1-2H3
InChIKeyAYAGSDVCXKHBLN-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine (CID 115210522) is 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine is CC(C)(CNCCC1CCCN1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The InChIKey is AYAGSDVCXKHBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,13-6-3-4-7-13)12-16-11-9-14-8-5-10-17-14/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 115210522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).