(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

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Related Compounds

N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
CID 137379854
1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 113493213
N-butyl-1-tert-butyl-N-ethylazetidin-3-amine
CID 170254720
1-(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 116535297
1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butylpyrrolidine
CID 163734387
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
N,N-diethyl-1-pyrrolidin-3-ylpyrrolidin-3-amine
CID 63167575
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250

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).