1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine

C9H18N2 — CID 134398798

IUPAC1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C9H18N2/c1-7-5-9(3,4)11(6-7)8(2)10/h7,10H,5-6H2,1-4H3/b10-8+/t7-/m0/s1
InChIKeyXACBUTMIUTZVIK-IVJKGPJYSA-N
MW154.26 g/mol
LogP2.10
Rot. Bonds

About 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine

1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine (PubChem CID 134398798) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
PubChem CID134398798
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C9H18N2/c1-7-5-9(3,4)11(6-7)8(2)10/h7,10H,5-6H2,1-4H3/b10-8+/t7-/m0/s1
InChIKeyXACBUTMIUTZVIK-IVJKGPJYSA-N
XLogP2.10
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
The IUPAC name of 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine (CID 134398798) is 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine.
What is the SMILES notation for 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
The canonical SMILES for 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine is [H]/N=C(\C)N1C[C@@H](C)CC1(C)C.
What is the InChIKey of 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
The InChIKey is XACBUTMIUTZVIK-IVJKGPJYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-5-9(3,4)11(6-7)8(2)10/h7,10H,5-6H2,1-4H3/b10-8+/t7-/m0/s1.
What are the key properties of 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine?
1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine has a molecular weight of 154.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]ethanimine is sourced from PubChem (CID 134398798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).