CID 177411079

C29H48N2 — CID 177411079

IUPAC—
SMILESCC(C)(C)CN([C]N(CC(C)(C)C)C1C=CC(C(C)(C)C)=C1)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C29H48N2/c1-26(2,3)19-30(24-15-13-22(17-24)28(7,8)9)21-31(20-27(4,5)6)25-16-14-23(18-25)29(10,11)12/h13-18,24-25H,19-20H2,1-12H3
InChIKeyWFJOLDNADFOGOZ-UHFFFAOYSA-N
MW424.72 g/mol
LogP7.50
Rot. Bonds6

About CID 177411079

CID 177411079 (PubChem CID 177411079) has the molecular formula C29H48N2 and a molecular weight of 424.72 g/mol.

Molecular Properties

Compound NameCID 177411079
PubChem CID177411079
Molecular FormulaC29H48N2
Molecular Weight424.72 g/mol
Exact Mass424.38
IUPAC Name—
SMILESCC(C)(C)CN([C]N(CC(C)(C)C)C1C=CC(C(C)(C)C)=C1)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C29H48N2/c1-26(2,3)19-30(24-15-13-22(17-24)28(7,8)9)21-31(20-27(4,5)6)25-16-14-23(18-25)29(10,11)12/h13-18,24-25H,19-20H2,1-12H3
InChIKeyWFJOLDNADFOGOZ-UHFFFAOYSA-N
XLogP7.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.72
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 177411079?
The IUPAC name of CID 177411079 (CID 177411079) is not available.
What is the SMILES notation for CID 177411079?
The canonical SMILES for CID 177411079 is CC(C)(C)CN([C]N(CC(C)(C)C)C1C=CC(C(C)(C)C)=C1)C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of CID 177411079?
The InChIKey is WFJOLDNADFOGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N2/c1-26(2,3)19-30(24-15-13-22(17-24)28(7,8)9)21-31(20-27(4,5)6)25-16-14-23(18-25)29(10,11)12/h13-18,24-25H,19-20H2,1-12H3.
What are the key properties of CID 177411079?
CID 177411079 has a molecular weight of 424.72 g/mol, XLogP of 7.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177411079 is sourced from PubChem (CID 177411079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).