CID 177239843

C20H35N2OPb — CID 177239843

IUPAC—
SMILESCC(C)(CNCC[Pb])COCC(C)(C)CNCCc1ccccc1
InChIInChI=1S/C20H35N2O.Pb/c1-6-21-14-19(2,3)16-23-17-20(4,5)15-22-13-12-18-10-8-7-9-11-18;/h7-11,21-22H,1,6,12-17H2,2-5H3;
InChIKeyLKUXNHJVQZPYOQ-UHFFFAOYSA-N
MW526.71 g/mol
LogP3.06
Rot. Bonds13

About CID 177239843

CID 177239843 (PubChem CID 177239843) has the molecular formula C20H35N2OPb and a molecular weight of 526.71 g/mol.

Molecular Properties

Compound NameCID 177239843
PubChem CID177239843
Molecular FormulaC20H35N2OPb
Molecular Weight526.71 g/mol
Exact Mass527.25
IUPAC Name—
SMILESCC(C)(CNCC[Pb])COCC(C)(C)CNCCc1ccccc1
InChIInChI=1S/C20H35N2O.Pb/c1-6-21-14-19(2,3)16-23-17-20(4,5)15-22-13-12-18-10-8-7-9-11-18;/h7-11,21-22H,1,6,12-17H2,2-5H3;
InChIKeyLKUXNHJVQZPYOQ-UHFFFAOYSA-N
XLogP3.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 177239842
CID 177239842
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
CID 150377351
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
2-N,2-N,2-trimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 28651842
2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 103034495
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302

Frequently Asked Questions

What is the IUPAC name of CID 177239843?
The IUPAC name of CID 177239843 (CID 177239843) is not available.
What is the SMILES notation for CID 177239843?
The canonical SMILES for CID 177239843 is CC(C)(CNCC[Pb])COCC(C)(C)CNCCc1ccccc1.
What is the InChIKey of CID 177239843?
The InChIKey is LKUXNHJVQZPYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N2O.Pb/c1-6-21-14-19(2,3)16-23-17-20(4,5)15-22-13-12-18-10-8-7-9-11-18;/h7-11,21-22H,1,6,12-17H2,2-5H3;.
What are the key properties of CID 177239843?
CID 177239843 has a molecular weight of 526.71 g/mol, XLogP of 3.06, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177239843 is sourced from PubChem (CID 177239843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).