CID 177484805

C27H52N2 — CID 177484805

IUPAC—
SMILESCCCCCCCCCCCC1=C(CCCCCCCCCCC)N(C)[C]N1C
InChIInChI=1S/C27H52N2/c1-5-7-9-11-13-15-17-19-21-23-26-27(29(4)25-28(26)3)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3
InChIKeyIZPXLQNMOAVOLL-UHFFFAOYSA-N
MW404.73 g/mol
LogP8.91
Rot. Bonds20

About CID 177484805

CID 177484805 (PubChem CID 177484805) has the molecular formula C27H52N2 and a molecular weight of 404.73 g/mol.

Molecular Properties

Compound NameCID 177484805
PubChem CID177484805
Molecular FormulaC27H52N2
Molecular Weight404.73 g/mol
Exact Mass404.41
IUPAC Name—
SMILESCCCCCCCCCCCC1=C(CCCCCCCCCCC)N(C)[C]N1C
InChIInChI=1S/C27H52N2/c1-5-7-9-11-13-15-17-19-21-23-26-27(29(4)25-28(26)3)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3
InChIKeyIZPXLQNMOAVOLL-UHFFFAOYSA-N
XLogP8.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.73
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 177484805?
The IUPAC name of CID 177484805 (CID 177484805) is not available.
What is the SMILES notation for CID 177484805?
The canonical SMILES for CID 177484805 is CCCCCCCCCCCC1=C(CCCCCCCCCCC)N(C)[C]N1C.
What is the InChIKey of CID 177484805?
The InChIKey is IZPXLQNMOAVOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N2/c1-5-7-9-11-13-15-17-19-21-23-26-27(29(4)25-28(26)3)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3.
What are the key properties of CID 177484805?
CID 177484805 has a molecular weight of 404.73 g/mol, XLogP of 8.91, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177484805 is sourced from PubChem (CID 177484805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).