CID 89164146

C10H18BN3O — CID 89164146

IUPAC—
SMILES[H]/N=C1\CCCCCN1C(=O)NCCC[B]
InChIInChI=1S/C10H18BN3O/c11-6-4-7-13-10(15)14-8-3-1-2-5-9(14)12/h12H,1-8H2,(H,13,15)/b12-9+
InChIKeyLBNLJPYMIWMETC-FMIVXFBMSA-N
MW207.09 g/mol
LogP1.53
Rot. Bonds3

About CID 89164146

CID 89164146 (PubChem CID 89164146) has the molecular formula C10H18BN3O and a molecular weight of 207.09 g/mol.

Molecular Properties

Compound NameCID 89164146
PubChem CID89164146
Molecular FormulaC10H18BN3O
Molecular Weight207.09 g/mol
Exact Mass207.15
IUPAC Name—
SMILES[H]/N=C1\CCCCCN1C(=O)NCCC[B]
InChIInChI=1S/C10H18BN3O/c11-6-4-7-13-10(15)14-8-3-1-2-5-9(14)12/h12H,1-8H2,(H,13,15)/b12-9+
InChIKeyLBNLJPYMIWMETC-FMIVXFBMSA-N
XLogP1.53
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 51.53
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-iminopiperidin-1-yl)ethylurea
CID 83112724
2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
CID 159625600
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide
CID 134938916
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
3-[2-(2-iminopyrrolidin-1-yl)ethyl]-1,1-dimethylurea
CID 83112523
2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide
CID 61480079
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
N-(6-hydroxyhexyl)piperidine-1-carboxamide
CID 103918692
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
CID 145345564
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
CID 107840294

Frequently Asked Questions

What is the IUPAC name of CID 89164146?
The IUPAC name of CID 89164146 (CID 89164146) is not available.
What is the SMILES notation for CID 89164146?
The canonical SMILES for CID 89164146 is [H]/N=C1\CCCCCN1C(=O)NCCC[B].
What is the InChIKey of CID 89164146?
The InChIKey is LBNLJPYMIWMETC-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H18BN3O/c11-6-4-7-13-10(15)14-8-3-1-2-5-9(14)12/h12H,1-8H2,(H,13,15)/b12-9+.
What are the key properties of CID 89164146?
CID 89164146 has a molecular weight of 207.09 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89164146 is sourced from PubChem (CID 89164146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).