3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline

C12H17N3 — CID 115378503

IUPAC3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline
SMILES[H]/N=C1\CCCN1c1cccc(N(C)C)c1
InChIInChI=1S/C12H17N3/c1-14(2)10-5-3-6-11(9-10)15-8-4-7-12(15)13/h3,5-6,9,13H,4,7-8H2,1-2H3/b13-12+
InChIKeyUYSNIAPTIOGFGE-OUKQBFOZSA-N
MW203.29 g/mol
LogP2.33
Rot. Bonds2

About 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline

3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline (PubChem CID 115378503) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline
PubChem CID115378503
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline
SMILES[H]/N=C1\CCCN1c1cccc(N(C)C)c1
InChIInChI=1S/C12H17N3/c1-14(2)10-5-3-6-11(9-10)15-8-4-7-12(15)13/h3,5-6,9,13H,4,7-8H2,1-2H3/b13-12+
InChIKeyUYSNIAPTIOGFGE-OUKQBFOZSA-N
XLogP2.33
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-ylpyrrolidin-2-imine
CID 60722830
3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
CID 110454992
1-quinolin-3-ylpyrrolidin-2-imine
CID 62783126
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine
CID 54966801
1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
CID 104779800
1-(4-bromo-3-chlorophenyl)pyrrolidin-2-imine
CID 107613345
1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
CID 63180024
3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
CID 115379175
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
CID 62315767
1-(6-bromonaphthalen-2-yl)piperidin-2-imine
CID 81260115
4-(2-iminopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 65484359
1-(5-methyl-3-pyridinyl)piperidin-2-imine
CID 107585793

Frequently Asked Questions

What is the IUPAC name of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline (CID 115378503) is 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline is [H]/N=C1\CCCN1c1cccc(N(C)C)c1.
What is the InChIKey of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline?
The InChIKey is UYSNIAPTIOGFGE-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17N3/c1-14(2)10-5-3-6-11(9-10)15-8-4-7-12(15)13/h3,5-6,9,13H,4,7-8H2,1-2H3/b13-12+.
What are the key properties of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline?
3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline has a molecular weight of 203.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 115378503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).