1-tert-butyl-3,3-diethylpyrrolidin-2-amine

C12H26N2 — CID 89045723

IUPAC1-tert-butyl-3,3-diethylpyrrolidin-2-amine
SMILESCCC1(CC)CCN(C(C)(C)C)C1N
InChIInChI=1S/C12H26N2/c1-6-12(7-2)8-9-14(10(12)13)11(3,4)5/h10H,6-9,13H2,1-5H3
InChIKeyKDPRKPHWHRYPMX-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.58
Rot. Bonds2

About 1-tert-butyl-3,3-diethylpyrrolidin-2-amine

1-tert-butyl-3,3-diethylpyrrolidin-2-amine (PubChem CID 89045723) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-tert-butyl-3,3-diethylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-tert-butyl-3,3-diethylpyrrolidin-2-amine
PubChem CID89045723
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-tert-butyl-3,3-diethylpyrrolidin-2-amine
SMILESCCC1(CC)CCN(C(C)(C)C)C1N
InChIInChI=1S/C12H26N2/c1-6-12(7-2)8-9-14(10(12)13)11(3,4)5/h10H,6-9,13H2,1-5H3
InChIKeyKDPRKPHWHRYPMX-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3,3-diethylpyrrolidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine
CID 172515542
1,2-ditert-butyl-2-azaspiro[4.4]nonane
CID 176747897
2,2-diethylcyclopentan-1-amine
CID 165447049
1-tert-butyl-1-ethylcyclopropane
CID 58798513
cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
CID 170936839
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
4-tert-butyl-1,4-diethylpiperidine
CID 122664542
(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 126627824
1-tert-butyl-2,3,3-trimethylpiperidine
CID 134197501
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679
1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
CID 114557822

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-diethylpyrrolidin-2-amine?
The IUPAC name of 1-tert-butyl-3,3-diethylpyrrolidin-2-amine (CID 89045723) is 1-tert-butyl-3,3-diethylpyrrolidin-2-amine.
What is the SMILES notation for 1-tert-butyl-3,3-diethylpyrrolidin-2-amine?
The canonical SMILES for 1-tert-butyl-3,3-diethylpyrrolidin-2-amine is CCC1(CC)CCN(C(C)(C)C)C1N.
What is the InChIKey of 1-tert-butyl-3,3-diethylpyrrolidin-2-amine?
The InChIKey is KDPRKPHWHRYPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-12(7-2)8-9-14(10(12)13)11(3,4)5/h10H,6-9,13H2,1-5H3.
What are the key properties of 1-tert-butyl-3,3-diethylpyrrolidin-2-amine?
1-tert-butyl-3,3-diethylpyrrolidin-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-diethylpyrrolidin-2-amine is sourced from PubChem (CID 89045723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).