1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine

C13H24N4 — CID 129077412

IUPAC1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)C1C=CN=C(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C13H24N4/c1-10(14)11-4-6-15-13(8-11)17-7-5-12(9-17)16(2)3/h4,6,10-12H,5,7-9,14H2,1-3H3
InChIKeyRMSHUIIKNAXISD-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.90
Rot. Bonds2

About 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 129077412) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID129077412
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)C1C=CN=C(N2CCC(N(C)C)C2)C1
InChIInChI=1S/C13H24N4/c1-10(14)11-4-6-15-13(8-11)17-7-5-12(9-17)16(2)3/h4,6,10-12H,5,7-9,14H2,1-3H3
InChIKeyRMSHUIIKNAXISD-UHFFFAOYSA-N
XLogP0.90
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 129077412) is 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine is CC(N)C1C=CN=C(N2CCC(N(C)C)C2)C1.
What is the InChIKey of 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is RMSHUIIKNAXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(14)11-4-6-15-13(8-11)17-7-5-12(9-17)16(2)3/h4,6,10-12H,5,7-9,14H2,1-3H3.
What are the key properties of 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 129077412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).