(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine

C10H20N2 — CID 166869651

IUPAC(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine
SMILESCN1C[C@@H](N2CCC2)CC1(C)C
InChIInChI=1S/C10H20N2/c1-10(2)7-9(8-11(10)3)12-5-4-6-12/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyDHBKIRZBOGWATC-VIFPVBQESA-N
MW168.28 g/mol
LogP1.17
Rot. Bonds1

About (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine

(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine (PubChem CID 166869651) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine
PubChem CID166869651
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine
SMILESCN1C[C@@H](N2CCC2)CC1(C)C
InChIInChI=1S/C10H20N2/c1-10(2)7-9(8-11(10)3)12-5-4-6-12/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyDHBKIRZBOGWATC-VIFPVBQESA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 102063381
CID 102063381
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1-(1-cyclohexyl-5,5-dimethylpyrrolidin-3-yl)piperazine
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(4R,5S)-1,2,2,5-tetramethylpiperidin-4-ol
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(1,5,5-trimethylpyrrolidin-3-yl)methanol
CID 117018814
2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944372
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
1,4,5,5,7-pentamethyl-1,4-diazepane
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N-ethyl-N,1,5,5-tetramethylpyrrolidin-3-amine
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CID 24995982

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine?
The IUPAC name of (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine (CID 166869651) is (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine.
What is the SMILES notation for (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine?
The canonical SMILES for (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine is CN1C[C@@H](N2CCC2)CC1(C)C.
What is the InChIKey of (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine?
The InChIKey is DHBKIRZBOGWATC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)7-9(8-11(10)3)12-5-4-6-12/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine?
(4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine has a molecular weight of 168.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(azetidin-1-yl)-1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 166869651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).