(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine

C12H26N2 — CID 129088258

IUPAC(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-6-13(7-2)11-8-9-14(10-11)12(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyOLCCAYMMMRVBSK-NSHDSACASA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds3

About (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine

(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 129088258) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
PubChem CID129088258
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-6-13(7-2)11-8-9-14(10-11)12(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyOLCCAYMMMRVBSK-NSHDSACASA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine (CID 129088258) is (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is OLCCAYMMMRVBSK-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2/c1-6-13(7-2)11-8-9-14(10-11)12(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine?
(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 129088258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).