CID 174042900

C17H32BN — CID 174042900

IUPAC—
SMILES[B]C1CCCCC(C2CCCCCCCN2)CCC1
InChIInChI=1S/C17H32BN/c18-16-11-6-5-9-15(10-8-12-16)17-13-4-2-1-3-7-14-19-17/h15-17,19H,1-14H2
InChIKeyBCASQJRTDNSOCF-UHFFFAOYSA-N
MW261.26 g/mol
LogP4.62
Rot. Bonds1

About CID 174042900

CID 174042900 (PubChem CID 174042900) has the molecular formula C17H32BN and a molecular weight of 261.26 g/mol.

Molecular Properties

Compound NameCID 174042900
PubChem CID174042900
Molecular FormulaC17H32BN
Molecular Weight261.26 g/mol
Exact Mass261.26
IUPAC Name—
SMILES[B]C1CCCCC(C2CCCCCCCN2)CCC1
InChIInChI=1S/C17H32BN/c18-16-11-6-5-9-15(10-8-12-16)17-13-4-2-1-3-7-14-19-17/h15-17,19H,1-14H2
InChIKeyBCASQJRTDNSOCF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174042900 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

(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-cycloheptylpiperidine;hydrochloride
CID 115030388
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
2-cyclopentylpyrrolidine
CID 4031549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620
2-pyrrolidin-2-ylpiperidine
CID 14810994
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611

Frequently Asked Questions

What is the IUPAC name of CID 174042900?
The IUPAC name of CID 174042900 (CID 174042900) is not available.
What is the SMILES notation for CID 174042900?
The canonical SMILES for CID 174042900 is [B]C1CCCCC(C2CCCCCCCN2)CCC1.
What is the InChIKey of CID 174042900?
The InChIKey is BCASQJRTDNSOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BN/c18-16-11-6-5-9-15(10-8-12-16)17-13-4-2-1-3-7-14-19-17/h15-17,19H,1-14H2.
What are the key properties of CID 174042900?
CID 174042900 has a molecular weight of 261.26 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174042900 is sourced from PubChem (CID 174042900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).