CID 157097259

C9H20BN — CID 157097259

IUPAC—
SMILES[B]CC(C)NCC(C)(C)CC
InChIInChI=1S/C9H20BN/c1-5-9(3,4)7-11-8(2)6-10/h8,11H,5-7H2,1-4H3
InChIKeyAWWJJGOLRMHKMR-UHFFFAOYSA-N
MW153.08 g/mol
LogP1.99
Rot. Bonds5

About CID 157097259

CID 157097259 (PubChem CID 157097259) has the molecular formula C9H20BN and a molecular weight of 153.08 g/mol.

Molecular Properties

Compound NameCID 157097259
PubChem CID157097259
Molecular FormulaC9H20BN
Molecular Weight153.08 g/mol
Exact Mass153.17
IUPAC Name—
SMILES[B]CC(C)NCC(C)(C)CC
InChIInChI=1S/C9H20BN/c1-5-9(3,4)7-11-8(2)6-10/h8,11H,5-7H2,1-4H3
InChIKeyAWWJJGOLRMHKMR-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 157097259 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

N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
3-(2,2-dimethylbutylamino)butan-2-ol
CID 103461276
CID 153135511
CID 153135511
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526
[di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
CID 134851214
N-butan-2-yl-3,3-dimethylpentan-1-amine
CID 88992386
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624
2-methyl-1-(pent-4-en-2-ylamino)butan-2-ol
CID 114493625

Frequently Asked Questions

What is the IUPAC name of CID 157097259?
The IUPAC name of CID 157097259 (CID 157097259) is not available.
What is the SMILES notation for CID 157097259?
The canonical SMILES for CID 157097259 is [B]CC(C)NCC(C)(C)CC.
What is the InChIKey of CID 157097259?
The InChIKey is AWWJJGOLRMHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BN/c1-5-9(3,4)7-11-8(2)6-10/h8,11H,5-7H2,1-4H3.
What are the key properties of CID 157097259?
CID 157097259 has a molecular weight of 153.08 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157097259 is sourced from PubChem (CID 157097259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).