CID 169304570

C15H21BN2 — CID 169304570

IUPAC—
SMILES[B]c1ccc2c(CC(C)N)cn(CC(C)C)c2c1
InChIInChI=1S/C15H21BN2/c1-10(2)8-18-9-12(6-11(3)17)14-5-4-13(16)7-15(14)18/h4-5,7,9-11H,6,8,17H2,1-3H3
InChIKeyLOIBNNNYLOMSRN-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.98
Rot. Bonds4

About CID 169304570

CID 169304570 (PubChem CID 169304570) has the molecular formula C15H21BN2 and a molecular weight of 240.16 g/mol.

Molecular Properties

Compound NameCID 169304570
PubChem CID169304570
Molecular FormulaC15H21BN2
Molecular Weight240.16 g/mol
Exact Mass240.18
IUPAC Name—
SMILES[B]c1ccc2c(CC(C)N)cn(CC(C)C)c2c1
InChIInChI=1S/C15H21BN2/c1-10(2)8-18-9-12(6-11(3)17)14-5-4-13(16)7-15(14)18/h4-5,7,9-11H,6,8,17H2,1-3H3
InChIKeyLOIBNNNYLOMSRN-UHFFFAOYSA-N
XLogP1.98
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 169304928
CID 169304928
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
CID 166911742
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
CID 40901056
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911476
3-[3-(2-aminoethyl)-1-(2-methylpropyl)indol-6-yl]aniline
CID 166911852
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
CID 41063911
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853
(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911238
2-[6-(3-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911481

Frequently Asked Questions

What is the IUPAC name of CID 169304570?
The IUPAC name of CID 169304570 (CID 169304570) is not available.
What is the SMILES notation for CID 169304570?
The canonical SMILES for CID 169304570 is [B]c1ccc2c(CC(C)N)cn(CC(C)C)c2c1.
What is the InChIKey of CID 169304570?
The InChIKey is LOIBNNNYLOMSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN2/c1-10(2)8-18-9-12(6-11(3)17)14-5-4-13(16)7-15(14)18/h4-5,7,9-11H,6,8,17H2,1-3H3.
What are the key properties of CID 169304570?
CID 169304570 has a molecular weight of 240.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169304570 is sourced from PubChem (CID 169304570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).