(2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine

C8H16N4 — CID 25198137

IUPAC(2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](N=[N+]=[N-])[C@@H]1C
InChIInChI=1S/C8H16N4/c1-6(2)12-5-4-8(7(12)3)10-11-9/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyVBGFLILYIHLNSY-YUMQZZPRSA-N
MW168.24 g/mol
LogP2.17
Rot. Bonds2

About (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine

(2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 25198137) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID25198137
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](N=[N+]=[N-])[C@@H]1C
InChIInChI=1S/C8H16N4/c1-6(2)12-5-4-8(7(12)3)10-11-9/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyVBGFLILYIHLNSY-YUMQZZPRSA-N
XLogP2.17
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine
CID 59289523
5-(fluoromethyl)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289535
N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289554
lithium N-ethyl-N-[[(2S)-pyrrolidin-1-id-2-yl]methyl]ethanamine
CID 101872807
(3R)-1-N,1-N,3-N,3-N-tetramethylpyrrolidine-1,3-diamine
CID 131041351
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine
CID 18731894
Ethyl-(1,2,3,5-tetramethylpyrazolidin-4-yl)diazene
CID 20644327
Propan-2-yl-(1,2,3,5-tetramethylpyrazolidin-4-yl)diazene
CID 20644328
N,N,1,5-tetramethylpyrrolidin-3-amine
CID 20647969
2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
CID 20705070
5-[(dimethylamino)methyl]-1-ethyl-N,N-dimethylpyrrolidin-3-amine
CID 20705154
N,N-diethyl-1-methylpyrrolidin-3-amine
CID 20736569

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine (CID 25198137) is (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@H](N=[N+]=[N-])[C@@H]1C.
What is the InChIKey of (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is VBGFLILYIHLNSY-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12-5-4-8(7(12)3)10-11-9/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine?
(2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 168.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azido-2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 25198137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).