heptane;4-[2-(methylamino)-4-pyridinyl]phenol

C19H28N2O — CID 144684064

IUPACheptane;4-[2-(methylamino)-4-pyridinyl]phenol
SMILESCCCCCCC.CNc1cc(-c2ccc(O)cc2)ccn1
InChIInChI=1S/C12H12N2O.C7H16/c1-13-12-8-10(6-7-14-12)9-2-4-11(15)5-3-9;1-3-5-7-6-4-2/h2-8,15H,1H3,(H,13,14);3-7H2,1-2H3
InChIKeyTVMQNBSQYXQYQI-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.47
Rot. Bonds6

About heptane;4-[2-(methylamino)-4-pyridinyl]phenol

heptane;4-[2-(methylamino)-4-pyridinyl]phenol (PubChem CID 144684064) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is heptane;4-[2-(methylamino)-4-pyridinyl]phenol.

Molecular Properties

Compound Nameheptane;4-[2-(methylamino)-4-pyridinyl]phenol
PubChem CID144684064
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Nameheptane;4-[2-(methylamino)-4-pyridinyl]phenol
SMILESCCCCCCC.CNc1cc(-c2ccc(O)cc2)ccn1
InChIInChI=1S/C12H12N2O.C7H16/c1-13-12-8-10(6-7-14-12)9-2-4-11(15)5-3-9;1-3-5-7-6-4-2/h2-8,15H,1H3,(H,13,14);3-7H2,1-2H3
InChIKeyTVMQNBSQYXQYQI-UHFFFAOYSA-N
XLogP5.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptane;4-[2-(methylamino)-4-pyridinyl]phenol?
The IUPAC name of heptane;4-[2-(methylamino)-4-pyridinyl]phenol (CID 144684064) is heptane;4-[2-(methylamino)-4-pyridinyl]phenol.
What is the SMILES notation for heptane;4-[2-(methylamino)-4-pyridinyl]phenol?
The canonical SMILES for heptane;4-[2-(methylamino)-4-pyridinyl]phenol is CCCCCCC.CNc1cc(-c2ccc(O)cc2)ccn1.
What is the InChIKey of heptane;4-[2-(methylamino)-4-pyridinyl]phenol?
The InChIKey is TVMQNBSQYXQYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C7H16/c1-13-12-8-10(6-7-14-12)9-2-4-11(15)5-3-9;1-3-5-7-6-4-2/h2-8,15H,1H3,(H,13,14);3-7H2,1-2H3.
What are the key properties of heptane;4-[2-(methylamino)-4-pyridinyl]phenol?
heptane;4-[2-(methylamino)-4-pyridinyl]phenol has a molecular weight of 300.45 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;4-[2-(methylamino)-4-pyridinyl]phenol is sourced from PubChem (CID 144684064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).