CID 138965510

C30H48N2 — CID 138965510

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(C2CCCCCCCCCCCCCC2)C=C1
InChIInChI=1S/C30H48N2/c1-25(2)28-20-17-21-29(26(3)4)30(28)32-23-22-31(24-32)27-18-15-13-11-9-7-5-6-8-10-12-14-16-19-27/h17,20-23,25-27H,5-16,18-19H2,1-4H3
InChIKeyBWTYYDYGLNEEIZ-UHFFFAOYSA-N
MW436.73 g/mol
LogP9.37
Rot. Bonds4

About CID 138965510

CID 138965510 (PubChem CID 138965510) has the molecular formula C30H48N2 and a molecular weight of 436.73 g/mol.

Molecular Properties

Compound NameCID 138965510
PubChem CID138965510
Molecular FormulaC30H48N2
Molecular Weight436.73 g/mol
Exact Mass436.38
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(C2CCCCCCCCCCCCCC2)C=C1
InChIInChI=1S/C30H48N2/c1-25(2)28-20-17-21-29(26(3)4)30(28)32-23-22-31(24-32)27-18-15-13-11-9-7-5-6-8-10-12-14-16-19-27/h17,20-23,25-27H,5-16,18-19H2,1-4H3
InChIKeyBWTYYDYGLNEEIZ-UHFFFAOYSA-N
XLogP9.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 138965510?
The IUPAC name of CID 138965510 (CID 138965510) is not available.
What is the SMILES notation for CID 138965510?
The canonical SMILES for CID 138965510 is CC(C)c1cccc(C(C)C)c1N1[C]N(C2CCCCCCCCCCCCCC2)C=C1.
What is the InChIKey of CID 138965510?
The InChIKey is BWTYYDYGLNEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2/c1-25(2)28-20-17-21-29(26(3)4)30(28)32-23-22-31(24-32)27-18-15-13-11-9-7-5-6-8-10-12-14-16-19-27/h17,20-23,25-27H,5-16,18-19H2,1-4H3.
What are the key properties of CID 138965510?
CID 138965510 has a molecular weight of 436.73 g/mol, XLogP of 9.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138965510 is sourced from PubChem (CID 138965510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).