decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane

C29H56N2 — CID 143996338

IUPACdecane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane
SMILESCC.CCCCCCCC.CCCCCCCCCC.Cc1ncc(C)c2[nH]ccc12
InChIInChI=1S/C10H22.C9H10N2.C8H18.C2H6/c1-3-5-7-9-10-8-6-4-2;1-6-5-11-7(2)8-3-4-10-9(6)8;1-3-5-7-8-6-4-2;1-2/h3-10H2,1-2H3;3-5,10H,1-2H3;3-8H2,1-2H3;1-2H3
InChIKeyVOQARPHMGFPWJD-UHFFFAOYSA-N
MW432.78 g/mol
LogP10.72
Rot. Bonds12

About decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane

decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane (PubChem CID 143996338) has the molecular formula C29H56N2 and a molecular weight of 432.78 g/mol. Its IUPAC name is decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane.

Molecular Properties

Compound Namedecane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane
PubChem CID143996338
Molecular FormulaC29H56N2
Molecular Weight432.78 g/mol
Exact Mass432.44
IUPAC Namedecane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane
SMILESCC.CCCCCCCC.CCCCCCCCCC.Cc1ncc(C)c2[nH]ccc12
InChIInChI=1S/C10H22.C9H10N2.C8H18.C2H6/c1-3-5-7-9-10-8-6-4-2;1-6-5-11-7(2)8-3-4-10-9(6)8;1-3-5-7-8-6-4-2;1-2/h3-10H2,1-2H3;3-5,10H,1-2H3;3-8H2,1-2H3;1-2H3
InChIKeyVOQARPHMGFPWJD-UHFFFAOYSA-N
XLogP10.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-7H-pyrrolo[2,3-h]quinazoline
CID 68572299
4-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 68576718
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150826942
2,3-dimethyl-5-undecylpyrazine
CID 57349452
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
CID 174987757
5-hexyl-2-(2-methylphenyl)-1H-imidazole
CID 176655031
N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170200023
N-(1H-indol-4-yl)-5-pentylpyridine-2-carboxamide
CID 172619007
ethane;7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143910334
2-decoxy-1,3-dimethylbenzene
CID 83057478

Frequently Asked Questions

What is the IUPAC name of decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane?
The IUPAC name of decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane (CID 143996338) is decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane.
What is the SMILES notation for decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane?
The canonical SMILES for decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane is CC.CCCCCCCC.CCCCCCCCCC.Cc1ncc(C)c2[nH]ccc12.
What is the InChIKey of decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane?
The InChIKey is VOQARPHMGFPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H10N2.C8H18.C2H6/c1-3-5-7-9-10-8-6-4-2;1-6-5-11-7(2)8-3-4-10-9(6)8;1-3-5-7-8-6-4-2;1-2/h3-10H2,1-2H3;3-5,10H,1-2H3;3-8H2,1-2H3;1-2H3.
What are the key properties of decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane?
decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane has a molecular weight of 432.78 g/mol, XLogP of 10.72, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane;octane is sourced from PubChem (CID 143996338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).