CID 89207186

C8H17BN2O — CID 89207186

IUPAC—
SMILES[B]CC(=O)NCCCCCCN
InChIInChI=1S/C8H17BN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
InChIKeyBXVPWEPIARAEAP-UHFFFAOYSA-N
MW168.05 g/mol
LogP0.21
Rot. Bonds7

About CID 89207186

CID 89207186 (PubChem CID 89207186) has the molecular formula C8H17BN2O and a molecular weight of 168.05 g/mol.

Molecular Properties

Compound NameCID 89207186
PubChem CID89207186
Molecular FormulaC8H17BN2O
Molecular Weight168.05 g/mol
Exact Mass168.14
IUPAC Name—
SMILES[B]CC(=O)NCCCCCCN
InChIInChI=1S/C8H17BN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
InChIKeyBXVPWEPIARAEAP-UHFFFAOYSA-N
XLogP0.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
N-(6-aminohexyl)-2-(disulfanyl)acetamide
CID 129106459
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
8-(8-aminooctanoylamino)octanoic acid
CID 16654921

Frequently Asked Questions

What is the IUPAC name of CID 89207186?
The IUPAC name of CID 89207186 (CID 89207186) is not available.
What is the SMILES notation for CID 89207186?
The canonical SMILES for CID 89207186 is [B]CC(=O)NCCCCCCN.
What is the InChIKey of CID 89207186?
The InChIKey is BXVPWEPIARAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12).
What are the key properties of CID 89207186?
CID 89207186 has a molecular weight of 168.05 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89207186 is sourced from PubChem (CID 89207186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).