1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine

C12H26N2 — CID 54423659

IUPAC1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine
SMILESCCN1C(C)(C)C(C)C(C)(N)C1(C)C
InChIInChI=1S/C12H26N2/c1-8-14-10(3,4)9(2)12(7,13)11(14,5)6/h9H,8,13H2,1-7H3
InChIKeyWCOFFIJKTMMOBT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds1

About 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine

1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine (PubChem CID 54423659) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine
PubChem CID54423659
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine
SMILESCCN1C(C)(C)C(C)C(C)(N)C1(C)C
InChIInChI=1S/C12H26N2/c1-8-14-10(3,4)9(2)12(7,13)11(14,5)6/h9H,8,13H2,1-7H3
InChIKeyWCOFFIJKTMMOBT-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane
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1-ethyl-2-methylpyrrolidine-2,3-diamine
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6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 88764566
1-ethyl-4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
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1,1,2,2,3,3,4-heptamethylcyclobutane
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1-chloro-1,2,2,3-tetramethylcyclopropane
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(3S)-1,2,2,3-tetramethylaziridine
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3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride
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CID 58477056

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine?
The IUPAC name of 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine (CID 54423659) is 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine.
What is the SMILES notation for 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine?
The canonical SMILES for 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine is CCN1C(C)(C)C(C)C(C)(N)C1(C)C.
What is the InChIKey of 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine?
The InChIKey is WCOFFIJKTMMOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-8-14-10(3,4)9(2)12(7,13)11(14,5)6/h9H,8,13H2,1-7H3.
What are the key properties of 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine?
1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine is sourced from PubChem (CID 54423659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).