1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C16H28N4 — CID 80634867

IUPAC1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC(N)Cc1cnc(N2CCC(N(C)C)C2)c(C)c1
InChIInChI=1S/C16H28N4/c1-5-14(17)9-13-8-12(2)16(18-10-13)20-7-6-15(11-20)19(3)4/h8,10,14-15H,5-7,9,11,17H2,1-4H3
InChIKeyIQAWUJOQLGPFGQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.81
Rot. Bonds5

About 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 80634867) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID80634867
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC(N)Cc1cnc(N2CCC(N(C)C)C2)c(C)c1
InChIInChI=1S/C16H28N4/c1-5-14(17)9-13-8-12(2)16(18-10-13)20-7-6-15(11-20)19(3)4/h8,10,14-15H,5-7,9,11,17H2,1-4H3
InChIKeyIQAWUJOQLGPFGQ-UHFFFAOYSA-N
XLogP1.81
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
CID 80634790
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634855
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]butan-2-amine
CID 80635191
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634124
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634863
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 80634867) is 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is CCC(N)Cc1cnc(N2CCC(N(C)C)C2)c(C)c1.
What is the InChIKey of 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IQAWUJOQLGPFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-14(17)9-13-8-12(2)16(18-10-13)20-7-6-15(11-20)19(3)4/h8,10,14-15H,5-7,9,11,17H2,1-4H3.
What are the key properties of 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 80634867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).