CID 23403793

C6H12BN — CID 23403793

IUPAC—
SMILES[B]CN1CCC(C)C1
InChIInChI=1S/C6H12BN/c1-6-2-3-8(4-6)5-7/h6H,2-5H2,1H3
InChIKeyMQSGGSUFTMUFES-UHFFFAOYSA-N
MW108.98 g/mol
LogP0.45
Rot. Bonds1

About CID 23403793

CID 23403793 (PubChem CID 23403793) has the molecular formula C6H12BN and a molecular weight of 108.98 g/mol.

Molecular Properties

Compound NameCID 23403793
PubChem CID23403793
Molecular FormulaC6H12BN
Molecular Weight108.98 g/mol
Exact Mass109.11
IUPAC Name—
SMILES[B]CN1CCC(C)C1
InChIInChI=1S/C6H12BN/c1-6-2-3-8(4-6)5-7/h6H,2-5H2,1H3
InChIKeyMQSGGSUFTMUFES-UHFFFAOYSA-N
XLogP0.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.98
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
2-methyl-3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidine
CID 79384640
2-(3-methylpyrrolidin-1-yl)ethanethioamide
CID 61224229
1-(3-fluorobutyl)-3-methylpyrrolidine
CID 130660857
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
CID 130727528
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303

Frequently Asked Questions

What is the IUPAC name of CID 23403793?
The IUPAC name of CID 23403793 (CID 23403793) is not available.
What is the SMILES notation for CID 23403793?
The canonical SMILES for CID 23403793 is [B]CN1CCC(C)C1.
What is the InChIKey of CID 23403793?
The InChIKey is MQSGGSUFTMUFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BN/c1-6-2-3-8(4-6)5-7/h6H,2-5H2,1H3.
What are the key properties of CID 23403793?
CID 23403793 has a molecular weight of 108.98 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23403793 is sourced from PubChem (CID 23403793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).