3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine

C16H28N2 — CID 106755154

IUPAC3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccnc(C)c1
InChIInChI=1S/C16H28N2/c1-5-7-13(3)11-16(18-9-6-2)15-8-10-17-14(4)12-15/h8,10,12-13,16,18H,5-7,9,11H2,1-4H3
InChIKeyZXJHIDIMBUGSKO-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.26
Rot. Bonds8

About 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine

3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine (PubChem CID 106755154) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
PubChem CID106755154
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccnc(C)c1
InChIInChI=1S/C16H28N2/c1-5-7-13(3)11-16(18-9-6-2)15-8-10-17-14(4)12-15/h8,10,12-13,16,18H,5-7,9,11H2,1-4H3
InChIKeyZXJHIDIMBUGSKO-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

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Related Compounds

1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754896
2,2-dimethyl-1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106755303
N-[2-(1-methylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755739
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine?
The IUPAC name of 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine (CID 106755154) is 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1ccnc(C)c1.
What is the InChIKey of 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine?
The InChIKey is ZXJHIDIMBUGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-7-13(3)11-16(18-9-6-2)15-8-10-17-14(4)12-15/h8,10,12-13,16,18H,5-7,9,11H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine?
3-methyl-1-(2-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 3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine is sourced from PubChem (CID 106755154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).