CID 177483660

C27H27N — CID 177483660

IUPAC
SMILESCC(C)N([C]c1ccc2ccccc2c1-c1cccc2ccccc12)C(C)C
InChIInChI=1S/C27H27N/c1-19(2)28(20(3)4)18-23-17-16-22-11-6-8-14-25(22)27(23)26-15-9-12-21-10-5-7-13-24(21)26/h5-17,19-20H,1-4H3
InChIKeyWAWLACWJHDCEAO-UHFFFAOYSA-N
MW365.52 g/mol
LogP7.17
Rot. Bonds5

About CID 177483660

CID 177483660 (PubChem CID 177483660) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol.

Molecular Properties

Compound NameCID 177483660
PubChem CID177483660
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name
SMILESCC(C)N([C]c1ccc2ccccc2c1-c1cccc2ccccc12)C(C)C
InChIInChI=1S/C27H27N/c1-19(2)28(20(3)4)18-23-17-16-22-11-6-8-14-25(22)27(23)26-15-9-12-21-10-5-7-13-24(21)26/h5-17,19-20H,1-4H3
InChIKeyWAWLACWJHDCEAO-UHFFFAOYSA-N
XLogP7.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177483660?
The IUPAC name of CID 177483660 (CID 177483660) is not available.
What is the SMILES notation for CID 177483660?
The canonical SMILES for CID 177483660 is CC(C)N([C]c1ccc2ccccc2c1-c1cccc2ccccc12)C(C)C.
What is the InChIKey of CID 177483660?
The InChIKey is WAWLACWJHDCEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-19(2)28(20(3)4)18-23-17-16-22-11-6-8-14-25(22)27(23)26-15-9-12-21-10-5-7-13-24(21)26/h5-17,19-20H,1-4H3.
What are the key properties of CID 177483660?
CID 177483660 has a molecular weight of 365.52 g/mol, XLogP of 7.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177483660 is sourced from PubChem (CID 177483660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).