3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine

C15H25N3 — CID 114057413

IUPAC3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
SMILESCCCCN(c1ncccc1CC(C)N)C1CC1
InChIInChI=1S/C15H25N3/c1-3-4-10-18(14-7-8-14)15-13(11-12(2)16)6-5-9-17-15/h5-6,9,12,14H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyUZQOTTXDEAGVAW-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.74
Rot. Bonds7

About 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine

3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine (PubChem CID 114057413) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine.

Molecular Properties

Compound Name3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
PubChem CID114057413
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
SMILESCCCCN(c1ncccc1CC(C)N)C1CC1
InChIInChI=1S/C15H25N3/c1-3-4-10-18(14-7-8-14)15-13(11-12(2)16)6-5-9-17-15/h5-6,9,12,14H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyUZQOTTXDEAGVAW-UHFFFAOYSA-N
XLogP2.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine?
The IUPAC name of 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine (CID 114057413) is 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine.
What is the SMILES notation for 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine?
The canonical SMILES for 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine is CCCCN(c1ncccc1CC(C)N)C1CC1.
What is the InChIKey of 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine?
The InChIKey is UZQOTTXDEAGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-4-10-18(14-7-8-14)15-13(11-12(2)16)6-5-9-17-15/h5-6,9,12,14H,3-4,7-8,10-11,16H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine?
3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine is sourced from PubChem (CID 114057413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).