CID 177386245

C18H31N2Sb — CID 177386245

IUPAC—
SMILESCC(NC(C)(C)C)c1cccc(C(C)NC(C)(C)C)c1[Sb]
InChIInChI=1S/C18H31N2.Sb/c1-13(19-17(3,4)5)15-10-9-11-16(12-15)14(2)20-18(6,7)8;/h9-11,13-14,19-20H,1-8H3;
InChIKeyGCDDPRIOQWYTES-UHFFFAOYSA-N
MW397.22 g/mol
LogP3.38
Rot. Bonds4

About CID 177386245

CID 177386245 (PubChem CID 177386245) has the molecular formula C18H31N2Sb and a molecular weight of 397.22 g/mol.

Molecular Properties

Compound NameCID 177386245
PubChem CID177386245
Molecular FormulaC18H31N2Sb
Molecular Weight397.22 g/mol
Exact Mass396.15
IUPAC Name—
SMILESCC(NC(C)(C)C)c1cccc(C(C)NC(C)(C)C)c1[Sb]
InChIInChI=1S/C18H31N2.Sb/c1-13(19-17(3,4)5)15-10-9-11-16(12-15)14(2)20-18(6,7)8;/h9-11,13-14,19-20H,1-8H3;
InChIKeyGCDDPRIOQWYTES-UHFFFAOYSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
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N-(1,1-diphenylpropan-2-yl)-2-methylpropan-2-amine
CID 14902890
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CID 59070986
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 153302415

Frequently Asked Questions

What is the IUPAC name of CID 177386245?
The IUPAC name of CID 177386245 (CID 177386245) is not available.
What is the SMILES notation for CID 177386245?
The canonical SMILES for CID 177386245 is CC(NC(C)(C)C)c1cccc(C(C)NC(C)(C)C)c1[Sb].
What is the InChIKey of CID 177386245?
The InChIKey is GCDDPRIOQWYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N2.Sb/c1-13(19-17(3,4)5)15-10-9-11-16(12-15)14(2)20-18(6,7)8;/h9-11,13-14,19-20H,1-8H3;.
What are the key properties of CID 177386245?
CID 177386245 has a molecular weight of 397.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177386245 is sourced from PubChem (CID 177386245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).