3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine

C14H24N2 — CID 63155465

IUPAC3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(C)nc1
InChIInChI=1S/C14H24N2/c1-5-8-15-14(9-11(2)3)13-7-6-12(4)16-10-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3
InChIKeyAPLFJNBOUOXCPD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.48
Rot. Bonds6

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

3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine (PubChem CID 63155465) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
PubChem CID63155465
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(C)nc1
InChIInChI=1S/C14H24N2/c1-5-8-15-14(9-11(2)3)13-7-6-12(4)16-10-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3
InChIKeyAPLFJNBOUOXCPD-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115854567
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
N-ethyl-4-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 63156106
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
N-[2-(4-bromophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66056115
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine (CID 63155465) is 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc(C)nc1.
What is the InChIKey of 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
The InChIKey is APLFJNBOUOXCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-8-15-14(9-11(2)3)13-7-6-12(4)16-10-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3.
What are the key properties of 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine?
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine is sourced from PubChem (CID 63155465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).