5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine

C16H28N2 — CID 83161609

IUPAC5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccncc1C
InChIInChI=1S/C16H28N2/c1-5-10-18-16(8-6-7-13(2)3)15-9-11-17-12-14(15)4/h9,11-13,16,18H,5-8,10H2,1-4H3
InChIKeyUNMDUSDTRFFXPR-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.26
Rot. Bonds8

About 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine

5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine (PubChem CID 83161609) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
PubChem CID83161609
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccncc1C
InChIInChI=1S/C16H28N2/c1-5-10-18-16(8-6-7-13(2)3)15-9-11-17-12-14(15)4/h9,11-13,16,18H,5-8,10H2,1-4H3
InChIKeyUNMDUSDTRFFXPR-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
CID 107896816
1-(3-methyl-4-pyridinyl)pentylhydrazine
CID 105261719
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
CID 114878598
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
[5-methyl-1-(4-methyl-3-pyridinyl)hexyl]hydrazine
CID 105279962
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine?
The IUPAC name of 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine (CID 83161609) is 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine.
What is the SMILES notation for 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine?
The canonical SMILES for 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ccncc1C.
What is the InChIKey of 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine?
The InChIKey is UNMDUSDTRFFXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-10-18-16(8-6-7-13(2)3)15-9-11-17-12-14(15)4/h9,11-13,16,18H,5-8,10H2,1-4H3.
What are the key properties of 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine?
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine is sourced from PubChem (CID 83161609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).