CID 155707132

C13H23BN2 — CID 155707132

IUPAC—
SMILES[B]C(C)(C)CC1=C(CCC)N(C)/C(=N/C)C1
InChIInChI=1S/C13H23BN2/c1-6-7-11-10(9-13(2,3)14)8-12(15-4)16(11)5/h6-9H2,1-5H3/b15-12+
InChIKeyBTKDMEBDMAVBJW-NTCAYCPXSA-N
MW218.15 g/mol
LogP3.16
Rot. Bonds4

About CID 155707132

CID 155707132 (PubChem CID 155707132) has the molecular formula C13H23BN2 and a molecular weight of 218.15 g/mol.

Molecular Properties

Compound NameCID 155707132
PubChem CID155707132
Molecular FormulaC13H23BN2
Molecular Weight218.15 g/mol
Exact Mass218.20
IUPAC Name—
SMILES[B]C(C)(C)CC1=C(CCC)N(C)/C(=N/C)C1
InChIInChI=1S/C13H23BN2/c1-6-7-11-10(9-13(2,3)14)8-12(15-4)16(11)5/h6-9H2,1-5H3/b15-12+
InChIKeyBTKDMEBDMAVBJW-NTCAYCPXSA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 53.16
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 155707132?
The IUPAC name of CID 155707132 (CID 155707132) is not available.
What is the SMILES notation for CID 155707132?
The canonical SMILES for CID 155707132 is [B]C(C)(C)CC1=C(CCC)N(C)/C(=N/C)C1.
What is the InChIKey of CID 155707132?
The InChIKey is BTKDMEBDMAVBJW-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H23BN2/c1-6-7-11-10(9-13(2,3)14)8-12(15-4)16(11)5/h6-9H2,1-5H3/b15-12+.
What are the key properties of CID 155707132?
CID 155707132 has a molecular weight of 218.15 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155707132 is sourced from PubChem (CID 155707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).