CID 174045715

C16H29BN2 — CID 174045715

IUPAC—
SMILES[B]C1(C)CCC2/C(=N\C(C)C)N(C(C)C)CCC2C1
InChIInChI=1S/C16H29BN2/c1-11(2)18-15-14-6-8-16(5,17)10-13(14)7-9-19(15)12(3)4/h11-14H,6-10H2,1-5H3/b18-15+
InChIKeyJQUNLQWVPBCGQX-OBGWFSINSA-N
MW260.23 g/mol
LogP3.67
Rot. Bonds2

About CID 174045715

CID 174045715 (PubChem CID 174045715) has the molecular formula C16H29BN2 and a molecular weight of 260.23 g/mol.

Molecular Properties

Compound NameCID 174045715
PubChem CID174045715
Molecular FormulaC16H29BN2
Molecular Weight260.23 g/mol
Exact Mass260.24
IUPAC Name—
SMILES[B]C1(C)CCC2/C(=N\C(C)C)N(C(C)C)CCC2C1
InChIInChI=1S/C16H29BN2/c1-11(2)18-15-14-6-8-16(5,17)10-13(14)7-9-19(15)12(3)4/h11-14H,6-10H2,1-5H3/b18-15+
InChIKeyJQUNLQWVPBCGQX-OBGWFSINSA-N
XLogP3.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 53.67
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 174045715?
The IUPAC name of CID 174045715 (CID 174045715) is not available.
What is the SMILES notation for CID 174045715?
The canonical SMILES for CID 174045715 is [B]C1(C)CCC2/C(=N\C(C)C)N(C(C)C)CCC2C1.
What is the InChIKey of CID 174045715?
The InChIKey is JQUNLQWVPBCGQX-OBGWFSINSA-N. The full InChI is InChI=1S/C16H29BN2/c1-11(2)18-15-14-6-8-16(5,17)10-13(14)7-9-19(15)12(3)4/h11-14H,6-10H2,1-5H3/b18-15+.
What are the key properties of CID 174045715?
CID 174045715 has a molecular weight of 260.23 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174045715 is sourced from PubChem (CID 174045715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).