CID 177420536

C15H28N2 — CID 177420536

IUPAC—
SMILESCC(C)C1=C(C(C)C)N(C(C)C)[C]N1C(C)C
InChIInChI=1S/C15H28N2/c1-10(2)14-15(11(3)4)17(13(7)8)9-16(14)12(5)6/h10-13H,1-8H3
InChIKeyCNBLJUQDZXVRSS-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.94
Rot. Bonds4

About CID 177420536

CID 177420536 (PubChem CID 177420536) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol.

Molecular Properties

Compound NameCID 177420536
PubChem CID177420536
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name—
SMILESCC(C)C1=C(C(C)C)N(C(C)C)[C]N1C(C)C
InChIInChI=1S/C15H28N2/c1-10(2)14-15(11(3)4)17(13(7)8)9-16(14)12(5)6/h10-13H,1-8H3
InChIKeyCNBLJUQDZXVRSS-UHFFFAOYSA-N
XLogP3.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 177420536 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 177420536?
The IUPAC name of CID 177420536 (CID 177420536) is not available.
What is the SMILES notation for CID 177420536?
The canonical SMILES for CID 177420536 is CC(C)C1=C(C(C)C)N(C(C)C)[C]N1C(C)C.
What is the InChIKey of CID 177420536?
The InChIKey is CNBLJUQDZXVRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-10(2)14-15(11(3)4)17(13(7)8)9-16(14)12(5)6/h10-13H,1-8H3.
What are the key properties of CID 177420536?
CID 177420536 has a molecular weight of 236.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177420536 is sourced from PubChem (CID 177420536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).