ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine

C19H35N5O — CID 164909044

IUPACethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine
SMILESC=CO.CC.CCC.Cc1ccccc1N.Nc1ccc(N)c(N)n1
InChIInChI=1S/C7H9N.C5H8N4.C3H8.C2H4O.C2H6/c1-6-4-2-3-5-7(6)8;6-3-1-2-4(7)9-5(3)8;1-3-2;1-2-3;1-2/h2-5H,8H2,1H3;1-2H,6H2,(H4,7,8,9);3H2,1-2H3;2-3H,1H2;1-2H3
InChIKeySGNXPIVLVRMHQP-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.54
Rot. Bonds

About ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine

ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine (PubChem CID 164909044) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine.

Molecular Properties

Compound Nameethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine
PubChem CID164909044
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Nameethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine
SMILESC=CO.CC.CCC.Cc1ccccc1N.Nc1ccc(N)c(N)n1
InChIInChI=1S/C7H9N.C5H8N4.C3H8.C2H4O.C2H6/c1-6-4-2-3-5-7(6)8;6-3-1-2-4(7)9-5(3)8;1-3-2;1-2-3;1-2/h2-5H,8H2,1H3;1-2H,6H2,(H4,7,8,9);3H2,1-2H3;2-3H,1H2;1-2H3
InChIKeySGNXPIVLVRMHQP-UHFFFAOYSA-N
XLogP4.54
TPSA137.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine?
The IUPAC name of ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine (CID 164909044) is ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine.
What is the SMILES notation for ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine?
The canonical SMILES for ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine is C=CO.CC.CCC.Cc1ccccc1N.Nc1ccc(N)c(N)n1.
What is the InChIKey of ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine?
The InChIKey is SGNXPIVLVRMHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C5H8N4.C3H8.C2H4O.C2H6/c1-6-4-2-3-5-7(6)8;6-3-1-2-4(7)9-5(3)8;1-3-2;1-2-3;1-2/h2-5H,8H2,1H3;1-2H,6H2,(H4,7,8,9);3H2,1-2H3;2-3H,1H2;1-2H3.
What are the key properties of ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine?
ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine has a molecular weight of 349.52 g/mol, XLogP of 4.54, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenol;2-methylaniline;propane;pyridine-2,3,6-triamine is sourced from PubChem (CID 164909044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).