1-bromopentane;1-methylpyrrolidine

C10H22BrN — CID 175404459

IUPAC1-bromopentane;1-methylpyrrolidine
SMILESCCCCCBr.CN1CCCC1
InChIInChI=1S/C5H11Br.C5H11N/c1-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-5H2,1H3
InChIKeyMZNTUAXHYUFVRW-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.28
Rot. Bonds3

About 1-bromopentane;1-methylpyrrolidine

1-bromopentane;1-methylpyrrolidine (PubChem CID 175404459) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-bromopentane;1-methylpyrrolidine.

Molecular Properties

Compound Name1-bromopentane;1-methylpyrrolidine
PubChem CID175404459
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC Name1-bromopentane;1-methylpyrrolidine
SMILESCCCCCBr.CN1CCCC1
InChIInChI=1S/C5H11Br.C5H11N/c1-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-5H2,1H3
InChIKeyMZNTUAXHYUFVRW-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;1-methylpyrrolidine
CID 143371006
1-methylpiperidine;pentan-1-amine;hydrate
CID 175112492
1-bromononadecane
CID 20496
1-bromooctane
CID 159764808
1-bromooctadecane
CID 8218
ethane;bis(1-methylpyrrolidine)
CID 153385238
1-bromohexadecane;methane
CID 174415075
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
ethanamine;ethane;1-methylpiperidine
CID 177317211
ethane;1-methyl-4-pentylpiperazine
CID 145099418
magnesium;1-bromopentadecane;hydride
CID 173122979

Frequently Asked Questions

What is the IUPAC name of 1-bromopentane;1-methylpyrrolidine?
The IUPAC name of 1-bromopentane;1-methylpyrrolidine (CID 175404459) is 1-bromopentane;1-methylpyrrolidine.
What is the SMILES notation for 1-bromopentane;1-methylpyrrolidine?
The canonical SMILES for 1-bromopentane;1-methylpyrrolidine is CCCCCBr.CN1CCCC1.
What is the InChIKey of 1-bromopentane;1-methylpyrrolidine?
The InChIKey is MZNTUAXHYUFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br.C5H11N/c1-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-5H2,1H3.
What are the key properties of 1-bromopentane;1-methylpyrrolidine?
1-bromopentane;1-methylpyrrolidine has a molecular weight of 236.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentane;1-methylpyrrolidine is sourced from PubChem (CID 175404459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).