CID 90360713

C11H14BN2 — CID 90360713

IUPAC—
SMILESC[B]C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H14BN2/c1-12-11(13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6,13H2,1H3
InChIKeyCGZDXUOGKGKKFY-UHFFFAOYSA-N
MW185.06 g/mol
LogP1.75
Rot. Bonds3

About CID 90360713

CID 90360713 (PubChem CID 90360713) has the molecular formula C11H14BN2 and a molecular weight of 185.06 g/mol.

Molecular Properties

Compound NameCID 90360713
PubChem CID90360713
Molecular FormulaC11H14BN2
Molecular Weight185.06 g/mol
Exact Mass185.13
IUPAC Name—
SMILESC[B]C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H14BN2/c1-12-11(13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6,13H2,1H3
InChIKeyCGZDXUOGKGKKFY-UHFFFAOYSA-N
XLogP1.75
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
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1-(1H-indol-3-yl)butan-2-amine
CID 8367
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
CID 70188356
CID 70188356
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140

Frequently Asked Questions

What is the IUPAC name of CID 90360713?
The IUPAC name of CID 90360713 (CID 90360713) is not available.
What is the SMILES notation for CID 90360713?
The canonical SMILES for CID 90360713 is C[B]C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of CID 90360713?
The InChIKey is CGZDXUOGKGKKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN2/c1-12-11(13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6,13H2,1H3.
What are the key properties of CID 90360713?
CID 90360713 has a molecular weight of 185.06 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90360713 is sourced from PubChem (CID 90360713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).