2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine

C15H26N2 — CID 115854567

IUPAC2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C)nc1)C(C)C(C)C
InChIInChI=1S/C15H26N2/c1-6-9-16-15(13(5)11(2)3)14-8-7-12(4)17-10-14/h7-8,10-11,13,15-16H,6,9H2,1-5H3
InChIKeyIOFNQJGSIJTVSO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.72
Rot. Bonds6

About 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine

2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine (PubChem CID 115854567) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
PubChem CID115854567
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C)nc1)C(C)C(C)C
InChIInChI=1S/C15H26N2/c1-6-9-16-15(13(5)11(2)3)14-8-7-12(4)17-10-14/h7-8,10-11,13,15-16H,6,9H2,1-5H3
InChIKeyIOFNQJGSIJTVSO-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494
N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 116720426
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 79198511
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine (CID 115854567) is 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine is CCCNC(c1ccc(C)nc1)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is IOFNQJGSIJTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-9-16-15(13(5)11(2)3)14-8-7-12(4)17-10-14/h7-8,10-11,13,15-16H,6,9H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 115854567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).