1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine

C14H22N2 — CID 107504040

IUPAC1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(C)nc(C)c1
InChIInChI=1S/C14H22N2/c1-6-7-15-14(10(2)3)13-8-11(4)16-12(5)9-13/h8-9,14-15H,2,6-7H2,1,3-5H3
InChIKeyDEFRZLSDPMMOHR-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.32
Rot. Bonds5

About 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine

1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 107504040) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID107504040
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(C)nc(C)c1
InChIInChI=1S/C14H22N2/c1-6-7-15-14(10(2)3)13-8-11(4)16-12(5)9-13/h8-9,14-15H,2,6-7H2,1,3-5H3
InChIKeyDEFRZLSDPMMOHR-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.32
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

2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785
1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005326
1-(3-bromophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79190724
1-(2,6-dimethyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 107503998
2-methyl-N-propyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-amine
CID 79177962
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
1-(3-bromo-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005152
1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005241
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine (CID 107504040) is 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1cc(C)nc(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is DEFRZLSDPMMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-7-15-14(10(2)3)13-8-11(4)16-12(5)9-13/h8-9,14-15H,2,6-7H2,1,3-5H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine?
1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 107504040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).