butane;1-methylpyrrolidine

C9H21N — CID 143371006

IUPACbutane;1-methylpyrrolidine
SMILESCCCC.CN1CCCC1
InChIInChI=1S/C5H11N.C4H10/c1-6-4-2-3-5-6;1-3-4-2/h2-5H2,1H3;3-4H2,1-2H3
InChIKeySBXORXZXXUXJIE-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.52
Rot. Bonds1

About butane;1-methylpyrrolidine

butane;1-methylpyrrolidine (PubChem CID 143371006) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is butane;1-methylpyrrolidine.

Molecular Properties

Compound Namebutane;1-methylpyrrolidine
PubChem CID143371006
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Namebutane;1-methylpyrrolidine
SMILESCCCC.CN1CCCC1
InChIInChI=1S/C5H11N.C4H10/c1-6-4-2-3-5-6;1-3-4-2/h2-5H2,1H3;3-4H2,1-2H3
InChIKeySBXORXZXXUXJIE-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylpyrrolidine;phosphane
CID 159655297
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
CID 172772830
CID 172772830
ethane;bis(1-methylpyrrolidine)
CID 153385238
ethanamine;ethane;1-methylpiperidine
CID 177317211
methoxymethane;1-methylpiperidine;propane
CID 143876527
methoxyethane;1-methylpyrrolidine
CID 90838943
methane;tris(1-methylpiperidine)
CID 162076357
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
ethane;1-methylazonane
CID 145157770
CID 68772535
CID 68772535

Frequently Asked Questions

What is the IUPAC name of butane;1-methylpyrrolidine?
The IUPAC name of butane;1-methylpyrrolidine (CID 143371006) is butane;1-methylpyrrolidine.
What is the SMILES notation for butane;1-methylpyrrolidine?
The canonical SMILES for butane;1-methylpyrrolidine is CCCC.CN1CCCC1.
What is the InChIKey of butane;1-methylpyrrolidine?
The InChIKey is SBXORXZXXUXJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H10/c1-6-4-2-3-5-6;1-3-4-2/h2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-methylpyrrolidine?
butane;1-methylpyrrolidine has a molecular weight of 143.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-methylpyrrolidine is sourced from PubChem (CID 143371006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).