CID 174029134

C10H17BIN — CID 174029134

IUPAC—
SMILES[B]N1CCC2(CCC(I)CC2)CC1
InChIInChI=1S/C10H17BIN/c11-13-7-5-10(6-8-13)3-1-9(12)2-4-10/h9H,1-8H2
InChIKeyGKZTXZWQFRJDIL-UHFFFAOYSA-N
MW288.97 g/mol
LogP2.53
Rot. Bonds

About CID 174029134

CID 174029134 (PubChem CID 174029134) has the molecular formula C10H17BIN and a molecular weight of 288.97 g/mol.

Molecular Properties

Compound NameCID 174029134
PubChem CID174029134
Molecular FormulaC10H17BIN
Molecular Weight288.97 g/mol
Exact Mass289.05
IUPAC Name—
SMILES[B]N1CCC2(CCC(I)CC2)CC1
InChIInChI=1S/C10H17BIN/c11-13-7-5-10(6-8-13)3-1-9(12)2-4-10/h9H,1-8H2
InChIKeyGKZTXZWQFRJDIL-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174029134 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

7-iodospiro[3.5]nonane
CID 121454581
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
CID 174298438
CID 174298438
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
CID 174148320
CID 174148320
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
3,9-dimethylspiro[5.5]undecane
CID 20825106
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
3-methyl-3-azaspiro[5.5]undecane-9-carboxamide
CID 59505677
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
CID 131886647

Frequently Asked Questions

What is the IUPAC name of CID 174029134?
The IUPAC name of CID 174029134 (CID 174029134) is not available.
What is the SMILES notation for CID 174029134?
The canonical SMILES for CID 174029134 is [B]N1CCC2(CCC(I)CC2)CC1.
What is the InChIKey of CID 174029134?
The InChIKey is GKZTXZWQFRJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BIN/c11-13-7-5-10(6-8-13)3-1-9(12)2-4-10/h9H,1-8H2.
What are the key properties of CID 174029134?
CID 174029134 has a molecular weight of 288.97 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174029134 is sourced from PubChem (CID 174029134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).