CID 174020633

C15H27BN2O — CID 174020633

IUPAC—
SMILES[B]C1(N)CC(C)(C)CCCCC2C1CCC(=O)N2C
InChIInChI=1S/C15H27BN2O/c1-14(2)9-5-4-6-12-11(15(16,17)10-14)7-8-13(19)18(12)3/h11-12H,4-10,17H2,1-3H3
InChIKeyVRRDDLLOQXWIHC-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.04
Rot. Bonds

About CID 174020633

CID 174020633 (PubChem CID 174020633) has the molecular formula C15H27BN2O and a molecular weight of 262.21 g/mol.

Molecular Properties

Compound NameCID 174020633
PubChem CID174020633
Molecular FormulaC15H27BN2O
Molecular Weight262.21 g/mol
Exact Mass262.22
IUPAC Name—
SMILES[B]C1(N)CC(C)(C)CCCCC2C1CCC(=O)N2C
InChIInChI=1S/C15H27BN2O/c1-14(2)9-5-4-6-12-11(15(16,17)10-14)7-8-13(19)18(12)3/h11-12H,4-10,17H2,1-3H3
InChIKeyVRRDDLLOQXWIHC-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.04
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

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1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
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6-hydroxy-1,5,5-trimethylpiperidin-2-one
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4,4-dimethylcyclononan-1-one
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1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of CID 174020633?
The IUPAC name of CID 174020633 (CID 174020633) is not available.
What is the SMILES notation for CID 174020633?
The canonical SMILES for CID 174020633 is [B]C1(N)CC(C)(C)CCCCC2C1CCC(=O)N2C.
What is the InChIKey of CID 174020633?
The InChIKey is VRRDDLLOQXWIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BN2O/c1-14(2)9-5-4-6-12-11(15(16,17)10-14)7-8-13(19)18(12)3/h11-12H,4-10,17H2,1-3H3.
What are the key properties of CID 174020633?
CID 174020633 has a molecular weight of 262.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174020633 is sourced from PubChem (CID 174020633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).