CID 145159895

C7H14BN — CID 145159895

IUPAC—
SMILES[B]C1(N)CCCCCC1
InChIInChI=1S/C7H14BN/c8-7(9)5-3-1-2-4-6-7/h1-6,9H2
InChIKeyFUJFDEWGJSZEFH-UHFFFAOYSA-N
MW123.01 g/mol
LogP1.16
Rot. Bonds

About CID 145159895

CID 145159895 (PubChem CID 145159895) has the molecular formula C7H14BN and a molecular weight of 123.01 g/mol.

Molecular Properties

Compound NameCID 145159895
PubChem CID145159895
Molecular FormulaC7H14BN
Molecular Weight123.01 g/mol
Exact Mass123.12
IUPAC Name—
SMILES[B]C1(N)CCCCCC1
InChIInChI=1S/C7H14BN/c8-7(9)5-3-1-2-4-6-7/h1-6,9H2
InChIKeyFUJFDEWGJSZEFH-UHFFFAOYSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.01
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 145159895 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
1-N'-methylcyclooctane-1,1-diamine
CID 70269680
1-iodocyclotridecan-1-amine
CID 134396656
1-cyclooctylcyclooctan-1-amine
CID 19973273
1-bis(1-aminocyclohexyl)stibanylcyclohexan-1-amine
CID 23462598
2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride
CID 122240376
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
cyclohexane-1,1-diamine;dichloroplatinum
CID 21280166
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370

Frequently Asked Questions

What is the IUPAC name of CID 145159895?
The IUPAC name of CID 145159895 (CID 145159895) is not available.
What is the SMILES notation for CID 145159895?
The canonical SMILES for CID 145159895 is [B]C1(N)CCCCCC1.
What is the InChIKey of CID 145159895?
The InChIKey is FUJFDEWGJSZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BN/c8-7(9)5-3-1-2-4-6-7/h1-6,9H2.
What are the key properties of CID 145159895?
CID 145159895 has a molecular weight of 123.01 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145159895 is sourced from PubChem (CID 145159895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).