1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine

C12H20N2 — CID 106754843

IUPAC1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccnc(C)c1
InChIInChI=1S/C12H20N2/c1-4-7-14-12(5-2)11-6-8-13-10(3)9-11/h6,8-9,12,14H,4-5,7H2,1-3H3
InChIKeyAQDIQSYUDMACIK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine

1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine (PubChem CID 106754843) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
PubChem CID106754843
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccnc(C)c1
InChIInChI=1S/C12H20N2/c1-4-7-14-12(5-2)11-6-8-13-10(3)9-11/h6,8-9,12,14H,4-5,7H2,1-3H3
InChIKeyAQDIQSYUDMACIK-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154
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-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
N-[2-(1-methylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755739
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine (CID 106754843) is 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccnc(C)c1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is AQDIQSYUDMACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-14-12(5-2)11-6-8-13-10(3)9-11/h6,8-9,12,14H,4-5,7H2,1-3H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine?
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106754843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).