CID 163400867

C11H19BN2 — CID 163400867

IUPAC—
SMILES[B]C(C)(C)C1=C(CC)N(C)/C(=N/C)C1
InChIInChI=1S/C11H19BN2/c1-6-9-8(11(2,3)12)7-10(13-4)14(9)5/h6-7H2,1-5H3/b13-10+
InChIKeyYHGCUDSWYZWZNA-JLHYYAGUSA-N
MW190.10 g/mol
LogP2.38
Rot. Bonds2

About CID 163400867

CID 163400867 (PubChem CID 163400867) has the molecular formula C11H19BN2 and a molecular weight of 190.10 g/mol.

Molecular Properties

Compound NameCID 163400867
PubChem CID163400867
Molecular FormulaC11H19BN2
Molecular Weight190.10 g/mol
Exact Mass190.16
IUPAC Name—
SMILES[B]C(C)(C)C1=C(CC)N(C)/C(=N/C)C1
InChIInChI=1S/C11H19BN2/c1-6-9-8(11(2,3)12)7-10(13-4)14(9)5/h6-7H2,1-5H3/b13-10+
InChIKeyYHGCUDSWYZWZNA-JLHYYAGUSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163400867?
The IUPAC name of CID 163400867 (CID 163400867) is not available.
What is the SMILES notation for CID 163400867?
The canonical SMILES for CID 163400867 is [B]C(C)(C)C1=C(CC)N(C)/C(=N/C)C1.
What is the InChIKey of CID 163400867?
The InChIKey is YHGCUDSWYZWZNA-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H19BN2/c1-6-9-8(11(2,3)12)7-10(13-4)14(9)5/h6-7H2,1-5H3/b13-10+.
What are the key properties of CID 163400867?
CID 163400867 has a molecular weight of 190.10 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163400867 is sourced from PubChem (CID 163400867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).