4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine

C13H22N2 — CID 115375289

IUPAC4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cncc(C)c1
InChIInChI=1S/C13H22N2/c1-4-7-15-12(3)5-6-13-8-11(2)9-14-10-13/h8-10,12,15H,4-7H2,1-3H3
InChIKeyDZWFSFFJKAOIPP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds6

About 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine

4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine (PubChem CID 115375289) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
PubChem CID115375289
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cncc(C)c1
InChIInChI=1S/C13H22N2/c1-4-7-15-12(3)5-6-13-8-11(2)9-14-10-13/h8-10,12,15H,4-7H2,1-3H3
InChIKeyDZWFSFFJKAOIPP-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine?
The IUPAC name of 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine (CID 115375289) is 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine is CCCNC(C)CCc1cncc(C)c1.
What is the InChIKey of 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine?
The InChIKey is DZWFSFFJKAOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-7-15-12(3)5-6-13-8-11(2)9-14-10-13/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine?
4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine is sourced from PubChem (CID 115375289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).