N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine

C12H26N2 — CID 83981099

IUPACN-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
SMILESCCNCCC1CCN(CC(C)C)C1
InChIInChI=1S/C12H26N2/c1-4-13-7-5-12-6-8-14(10-12)9-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyVEYJYOCAPITXMD-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds6

About N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine

N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine (PubChem CID 83981099) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
PubChem CID83981099
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
SMILESCCNCCC1CCN(CC(C)C)C1
InChIInChI=1S/C12H26N2/c1-4-13-7-5-12-6-8-14(10-12)9-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyVEYJYOCAPITXMD-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
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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Related Compounds

2,2,2-trifluoro-N-[2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethyl]ethanamine
CID 83981091
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
CID 83982939
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 165387278
N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-ethylethanamine
CID 83980952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine (CID 83981099) is N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine is CCNCCC1CCN(CC(C)C)C1.
What is the InChIKey of N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is VEYJYOCAPITXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-13-7-5-12-6-8-14(10-12)9-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 83981099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).