3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine

C19H34N2 — CID 115375894

IUPAC3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
SMILESCCCCCC(CCCCC)Nc1cccc(N(C)C)c1
InChIInChI=1S/C19H34N2/c1-5-7-9-12-17(13-10-8-6-2)20-18-14-11-15-19(16-18)21(3)4/h11,14-17,20H,5-10,12-13H2,1-4H3
InChIKeyVIKOIHLQVTVDFS-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.69
Rot. Bonds11

About 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine

3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine (PubChem CID 115375894) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
PubChem CID115375894
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
SMILESCCCCCC(CCCCC)Nc1cccc(N(C)C)c1
InChIInChI=1S/C19H34N2/c1-5-7-9-12-17(13-10-8-6-2)20-18-14-11-15-19(16-18)21(3)4/h11,14-17,20H,5-10,12-13H2,1-4H3
InChIKeyVIKOIHLQVTVDFS-UHFFFAOYSA-N
XLogP5.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174010582
CID 174010582
N-tridecan-6-ylaniline
CID 151143089
3-ethoxy-N-undecan-6-ylaniline
CID 63453491
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CID 83041129
3-[3-(dimethylamino)anilino]pentanenitrile
CID 115377658
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
4-[4-(dimethylamino)anilino]nonanal
CID 167155386
3-(1-hydrazinylheptyl)-N,N-dimethylaniline
CID 105293942
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
2-(3-methylanilino)octan-1-ol
CID 61049186
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710
2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine
CID 43782595

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine (CID 115375894) is 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine is CCCCCC(CCCCC)Nc1cccc(N(C)C)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine?
The InChIKey is VIKOIHLQVTVDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-7-9-12-17(13-10-8-6-2)20-18-14-11-15-19(16-18)21(3)4/h11,14-17,20H,5-10,12-13H2,1-4H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine is sourced from PubChem (CID 115375894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).