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

C15H26N2 — CID 107896816

IUPAC2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccncc1C)C(C)CCC
InChIInChI=1S/C15H26N2/c1-5-7-12(3)15(17-9-6-2)14-8-10-16-11-13(14)4/h8,10-12,15,17H,5-7,9H2,1-4H3
InChIKeyQZBYQDDQHDZOBB-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.87
Rot. Bonds7

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

2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine (PubChem CID 107896816) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
PubChem CID107896816
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccncc1C)C(C)CCC
InChIInChI=1S/C15H26N2/c1-5-7-12(3)15(17-9-6-2)14-8-10-16-11-13(14)4/h8,10-12,15,17H,5-7,9H2,1-4H3
InChIKeyQZBYQDDQHDZOBB-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
3-methyl-4-pentan-2-ylpyridine
CID 143325066
N,2-dimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006266
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-methylpentan-1-amine
CID 114013828
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
4-(4-methyl-3-pyridinyl)-N-propylpentan-2-amine
CID 66272751
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine (CID 107896816) is 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine is CCCNC(c1ccncc1C)C(C)CCC.
What is the InChIKey of 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine?
The InChIKey is QZBYQDDQHDZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-7-12(3)15(17-9-6-2)14-8-10-16-11-13(14)4/h8,10-12,15,17H,5-7,9H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine?
2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine is sourced from PubChem (CID 107896816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).