CID 148887826

C8H16BNO — CID 148887826

IUPAC—
SMILES[B]CC(C)NCC1(CO)CC1
InChIInChI=1S/C8H16BNO/c1-7(4-9)10-5-8(6-11)2-3-8/h7,10-11H,2-6H2,1H3
InChIKeySAUNEIIOMCCFQX-UHFFFAOYSA-N
MW153.03 g/mol
LogP0.32
Rot. Bonds5

About CID 148887826

CID 148887826 (PubChem CID 148887826) has the molecular formula C8H16BNO and a molecular weight of 153.03 g/mol.

Molecular Properties

Compound NameCID 148887826
PubChem CID148887826
Molecular FormulaC8H16BNO
Molecular Weight153.03 g/mol
Exact Mass153.13
IUPAC Name—
SMILES[B]CC(C)NCC1(CO)CC1
InChIInChI=1S/C8H16BNO/c1-7(4-9)10-5-8(6-11)2-3-8/h7,10-11H,2-6H2,1H3
InChIKeySAUNEIIOMCCFQX-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.03
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
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[1-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopropyl]methanol
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2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
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[1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentyl]methanol
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[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
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Frequently Asked Questions

What is the IUPAC name of CID 148887826?
The IUPAC name of CID 148887826 (CID 148887826) is not available.
What is the SMILES notation for CID 148887826?
The canonical SMILES for CID 148887826 is [B]CC(C)NCC1(CO)CC1.
What is the InChIKey of CID 148887826?
The InChIKey is SAUNEIIOMCCFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BNO/c1-7(4-9)10-5-8(6-11)2-3-8/h7,10-11H,2-6H2,1H3.
What are the key properties of CID 148887826?
CID 148887826 has a molecular weight of 153.03 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148887826 is sourced from PubChem (CID 148887826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).