carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)

C19H32BFeNO2 — CID 162297367

IUPACcarbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)
SMILESC1CCCC1.OB1OCc2ccc(NC3CCCC3)cc21.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C12H16BNO2.C5H10.2CH3.Fe/c15-13-12-7-11(6-5-9(12)8-16-13)14-10-3-1-2-4-10;1-2-4-5-3-1;;;/h5-7,10,14-15H,1-4,8H2;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyXZGZQBIZVLUWLK-UHFFFAOYSA-N
MW373.13 g/mol
LogP4.11
Rot. Bonds2

About carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)

carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+) (PubChem CID 162297367) has the molecular formula C19H32BFeNO2 and a molecular weight of 373.13 g/mol. Its IUPAC name is carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)
PubChem CID162297367
Molecular FormulaC19H32BFeNO2
Molecular Weight373.13 g/mol
Exact Mass373.19
IUPAC Namecarbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)
SMILESC1CCCC1.OB1OCc2ccc(NC3CCCC3)cc21.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C12H16BNO2.C5H10.2CH3.Fe/c15-13-12-7-11(6-5-9(12)8-16-13)14-10-3-1-2-4-10;1-2-4-5-3-1;;;/h5-7,10,14-15H,1-4,8H2;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyXZGZQBIZVLUWLK-UHFFFAOYSA-N
XLogP4.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+) 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

1-hydroxy-N-phenyl-3H-2,1-benzoxaborol-6-amine
CID 54587116
N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
CID 137448864
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-[(2S,3S)-4-(cyclopentylamino)-3-[(1-hydroxy-3H-2,1-benzoxaborole-6-carbonyl)amino]-4-oxobutan-2-yl]-1-hydroxy-3H-2,1-benzoxaborole-6-carboxamide
CID 174145985
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
1-[4-(cyclohexylamino)-2-methylphenyl]ethanone
CID 20716281
N-cycloheptyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 82933808
N-cyclopentyl-4-iodo-3-methylaniline
CID 166607280
S-propyl N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)carbamothioate
CID 147711467
4-amino-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2,6-dimethylbenzenesulfonamide
CID 67174381
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)?
The IUPAC name of carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+) (CID 162297367) is carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+) is C1CCCC1.OB1OCc2ccc(NC3CCCC3)cc21.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)?
The InChIKey is XZGZQBIZVLUWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BNO2.C5H10.2CH3.Fe/c15-13-12-7-11(6-5-9(12)8-16-13)14-10-3-1-2-4-10;1-2-4-5-3-1;;;/h5-7,10,14-15H,1-4,8H2;1-5H2;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+)?
carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+) has a molecular weight of 373.13 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;N-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-amine;iron(2+) is sourced from PubChem (CID 162297367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).