3-dodecan-6-yl-N,N-dimethylpyridin-2-amine

C19H34N2 — CID 137465666

IUPAC3-dodecan-6-yl-N,N-dimethylpyridin-2-amine
SMILESCCCCCCC(CCCCC)c1cccnc1N(C)C
InChIInChI=1S/C19H34N2/c1-5-7-9-11-14-17(13-10-8-6-2)18-15-12-16-20-19(18)21(3)4/h12,15-17H,5-11,13-14H2,1-4H3
InChIKeyYEQFJUSCLXWZII-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.78
Rot. Bonds11

About 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine

3-dodecan-6-yl-N,N-dimethylpyridin-2-amine (PubChem CID 137465666) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-dodecan-6-yl-N,N-dimethylpyridin-2-amine
PubChem CID137465666
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-dodecan-6-yl-N,N-dimethylpyridin-2-amine
SMILESCCCCCCC(CCCCC)c1cccnc1N(C)C
InChIInChI=1S/C19H34N2/c1-5-7-9-11-14-17(13-10-8-6-2)18-15-12-16-20-19(18)21(3)4/h12,15-17H,5-11,13-14H2,1-4H3
InChIKeyYEQFJUSCLXWZII-UHFFFAOYSA-N
XLogP5.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yl-N,N-dimethylpyridin-2-amine
CID 129162816
2-tridecan-6-ylpyridine
CID 139295924
2-pentadecan-6-ylphenol
CID 66865451
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
[2-(dimethylamino)-3-pyridinyl] octanoate
CID 154635229
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
2-icosan-9-ylaniline
CID 22408958
2-decan-4-ylpyridine
CID 67882797
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
1-hexadecan-6-ylnaphthalene
CID 14029925
N,N-dimethyl-3-[(1R)-1-(methylamino)ethyl]pyridin-2-amine
CID 130631102
1-tetracosan-9-ylnaphthalene
CID 175897855

Frequently Asked Questions

What is the IUPAC name of 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine (CID 137465666) is 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine is CCCCCCC(CCCCC)c1cccnc1N(C)C.
What is the InChIKey of 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine?
The InChIKey is YEQFJUSCLXWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-7-9-11-14-17(13-10-8-6-2)18-15-12-16-20-19(18)21(3)4/h12,15-17H,5-11,13-14H2,1-4H3.
What are the key properties of 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine?
3-dodecan-6-yl-N,N-dimethylpyridin-2-amine has a molecular weight of 290.50 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecan-6-yl-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 137465666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).