2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine

C18H33N3 — CID 43782595

IUPAC2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine
SMILESCCCCCC(CCCCC)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C18H33N3/c1-5-7-9-11-16(12-10-8-6-2)20-17-13-14-18(19-15-17)21(3)4/h13-16,20H,5-12H2,1-4H3
InChIKeyCIRFGQPEZFLAAX-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.09
Rot. Bonds11

About 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine (PubChem CID 43782595) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine
PubChem CID43782595
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine
SMILESCCCCCC(CCCCC)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C18H33N3/c1-5-7-9-11-16(12-10-8-6-2)20-17-13-14-18(19-15-17)21(3)4/h13-16,20H,5-12H2,1-4H3
InChIKeyCIRFGQPEZFLAAX-UHFFFAOYSA-N
XLogP5.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethyl-5-N-pentan-2-ylpyridine-2,5-diamine
CID 43690557
2-N,2-N-dimethyl-5-N-(1-phenylbutyl)pyridine-2,5-diamine
CID 43690418
2-N,2-N-dimethyl-5-N-(3-methylbutyl)pyridine-2,5-diamine
CID 43690493
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
5-N-ethyl-2-N-octan-3-ylpyridine-2,5-diamine
CID 82104382
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554
4-[4-(dimethylamino)anilino]nonanal
CID 167155386
N-tridecan-6-ylaniline
CID 151143089
4-fluoro-N-octan-3-ylaniline
CID 150524995
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine (CID 43782595) is 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine is CCCCCC(CCCCC)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine?
The InChIKey is CIRFGQPEZFLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-7-9-11-16(12-10-8-6-2)20-17-13-14-18(19-15-17)21(3)4/h13-16,20H,5-12H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine has a molecular weight of 291.48 g/mol, XLogP of 5.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-undecan-6-ylpyridine-2,5-diamine is sourced from PubChem (CID 43782595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).