1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C14H27N5 — CID 66164594

IUPAC1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)n1cncc1C(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C14H27N5/c1-11(2)19-10-16-8-14(19)13(7-15)18-6-5-12(9-18)17(3)4/h8,10-13H,5-7,9,15H2,1-4H3
InChIKeyWGCXGCGPXWPVKO-UHFFFAOYSA-N
MW265.41 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 66164594) has the molecular formula C14H27N5 and a molecular weight of 265.41 g/mol. Its IUPAC name is 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID66164594
Molecular FormulaC14H27N5
Molecular Weight265.41 g/mol
Exact Mass265.23
IUPAC Name1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(C)n1cncc1C(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C14H27N5/c1-11(2)19-10-16-8-14(19)13(7-15)18-6-5-12(9-18)17(3)4/h8,10-13H,5-7,9,15H2,1-4H3
InChIKeyWGCXGCGPXWPVKO-UHFFFAOYSA-N
XLogP1.10
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-1-(3-propylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66132201
2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-(2-methylmorpholin-4-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66162994
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 106586426
2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
CID 66163414
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163612
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66164793
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592602

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 66164594) is 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CC(C)n1cncc1C(CN)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WGCXGCGPXWPVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11(2)19-10-16-8-14(19)13(7-15)18-6-5-12(9-18)17(3)4/h8,10-13H,5-7,9,15H2,1-4H3.
What are the key properties of 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 265.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 66164594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).