CID 162756197

C13H27BN2O2 — CID 162756197

IUPAC—
SMILES[B]C(C)(CNC(=O)CCC)COCC(C)(C)CN
InChIInChI=1S/C13H27BN2O2/c1-5-6-11(17)16-8-13(4,14)10-18-9-12(2,3)7-15/h5-10,15H2,1-4H3,(H,16,17)
InChIKeyNLTLVXKPCRSJMK-UHFFFAOYSA-N
MW254.18 g/mol
LogP1.25
Rot. Bonds9

About CID 162756197

CID 162756197 (PubChem CID 162756197) has the molecular formula C13H27BN2O2 and a molecular weight of 254.18 g/mol.

Molecular Properties

Compound NameCID 162756197
PubChem CID162756197
Molecular FormulaC13H27BN2O2
Molecular Weight254.18 g/mol
Exact Mass254.22
IUPAC Name—
SMILES[B]C(C)(CNC(=O)CCC)COCC(C)(C)CN
InChIInChI=1S/C13H27BN2O2/c1-5-6-11(17)16-8-13(4,14)10-18-9-12(2,3)7-15/h5-10,15H2,1-4H3,(H,16,17)
InChIKeyNLTLVXKPCRSJMK-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
N-[2-[[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2-oxoethyl]hexanamide
CID 170966316
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
CID 170012588
N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
CID 178123006
4-[3-(butanoylamino)-2,2-dimethylpropoxy]-N-[3-[2-(methoxymethyl)-2-methylbutoxy]-2,2-dimethylpropyl]-3,3-dimethylbutanamide
CID 170966709
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
bis[4-[(3-amino-2,2-dimethylpropyl)amino]-4-oxobutyl] oxalate
CID 57210877
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695

Frequently Asked Questions

What is the IUPAC name of CID 162756197?
The IUPAC name of CID 162756197 (CID 162756197) is not available.
What is the SMILES notation for CID 162756197?
The canonical SMILES for CID 162756197 is [B]C(C)(CNC(=O)CCC)COCC(C)(C)CN.
What is the InChIKey of CID 162756197?
The InChIKey is NLTLVXKPCRSJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BN2O2/c1-5-6-11(17)16-8-13(4,14)10-18-9-12(2,3)7-15/h5-10,15H2,1-4H3,(H,16,17).
What are the key properties of CID 162756197?
CID 162756197 has a molecular weight of 254.18 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162756197 is sourced from PubChem (CID 162756197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).