N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C14H28N2 — CID 63218528

IUPACN-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1CCNCC1CCCC1
InChIInChI=1S/C14H28N2/c1-14(2)8-5-10-16(14)11-9-15-12-13-6-3-4-7-13/h13,15H,3-12H2,1-2H3
InChIKeyZROKBQXPMDXDAK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 63218528) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID63218528
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1CCNCC1CCCC1
InChIInChI=1S/C14H28N2/c1-14(2)8-5-10-16(14)11-9-15-12-13-6-3-4-7-13/h13,15H,3-12H2,1-2H3
InChIKeyZROKBQXPMDXDAK-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
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 N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 63218528) is N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is ZROKBQXPMDXDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2)8-5-10-16(14)11-9-15-12-13-6-3-4-7-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63218528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).