2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine

C13H24N4 — CID 66163186

IUPAC2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C13H24N4/c1-4-6-16-7-5-11(14)13(16)12-8-15-9-17(12)10(2)3/h8-11,13H,4-7,14H2,1-3H3
InChIKeyMPYINRDDFBIFNL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.95
Rot. Bonds4

About 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine

2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine (PubChem CID 66163186) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
PubChem CID66163186
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C13H24N4/c1-4-6-16-7-5-11(14)13(16)12-8-15-9-17(12)10(2)3/h8-11,13H,4-7,14H2,1-3H3
InChIKeyMPYINRDDFBIFNL-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
CID 66163591
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66163787
1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)piperidin-3-amine
CID 66162586
1-(2-methylpropyl)-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66164373
N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 66161976
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
CID 66118965
[1-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methanamine
CID 66163581
2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 66163942
2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine
CID 79365132
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine
CID 178196695
(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine
CID 178196692

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine (CID 66163186) is 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine is CCCN1CCC(N)C1c1cncn1C(C)C.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine?
The InChIKey is MPYINRDDFBIFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-16-7-5-11(14)13(16)12-8-15-9-17(12)10(2)3/h8-11,13H,4-7,14H2,1-3H3.
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine?
2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 66163186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).