5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine

C14H23N3 — CID 80633578

IUPAC5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)C2CC2)c(C)c1
InChIInChI=1S/C14H23N3/c1-4-12(15)8-11-7-10(2)14(16-9-11)17(3)13-5-6-13/h7,9,12-13H,4-6,8,15H2,1-3H3
InChIKeyCBCTZQGCUJMQTN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.27
Rot. Bonds5

About 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine

5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine (PubChem CID 80633578) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
PubChem CID80633578
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)C2CC2)c(C)c1
InChIInChI=1S/C14H23N3/c1-4-12(15)8-11-7-10(2)14(16-9-11)17(3)13-5-6-13/h7,9,12-13H,4-6,8,15H2,1-3H3
InChIKeyCBCTZQGCUJMQTN-UHFFFAOYSA-N
XLogP2.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine (CID 80633578) is 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine is CCC(N)Cc1cnc(N(C)C2CC2)c(C)c1.
What is the InChIKey of 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine?
The InChIKey is CBCTZQGCUJMQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12(15)8-11-7-10(2)14(16-9-11)17(3)13-5-6-13/h7,9,12-13H,4-6,8,15H2,1-3H3.
What are the key properties of 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine?
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80633578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).