2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine

C13H20N2 — CID 106755556

IUPAC2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccnc(C)c1
InChIInChI=1S/C13H20N2/c1-5-7-15-13(10(2)3)12-6-8-14-11(4)9-12/h6,8-9,13,15H,2,5,7H2,1,3-4H3
InChIKeyAPCIGRVEALATSX-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.01
Rot. Bonds5

About 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine

2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine (PubChem CID 106755556) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
PubChem CID106755556
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccnc(C)c1
InChIInChI=1S/C13H20N2/c1-5-7-15-13(10(2)3)12-6-8-14-11(4)9-12/h6,8-9,13,15H,2,5,7H2,1,3-4H3
InChIKeyAPCIGRVEALATSX-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
2,2-dimethyl-1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106755303
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
1-(3-bromophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79190724
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine (CID 106755556) is 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1ccnc(C)c1.
What is the InChIKey of 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine?
The InChIKey is APCIGRVEALATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-7-15-13(10(2)3)12-6-8-14-11(4)9-12/h6,8-9,13,15H,2,5,7H2,1,3-4H3.
What are the key properties of 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine?
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 106755556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).