butane;methanamine;methylcyclopentane

C11H27N — CID 142104572

IUPACbutane;methanamine;methylcyclopentane
SMILESCC1CCCC1.CCCC.CN
InChIInChI=1S/C6H12.C4H10.CH5N/c1-6-4-2-3-5-6;1-3-4-2;1-2/h6H,2-5H2,1H3;3-4H2,1-2H3;2H2,1H3
InChIKeyYAGMXCWGSUOYMZ-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.58
Rot. Bonds1

About butane;methanamine;methylcyclopentane

butane;methanamine;methylcyclopentane (PubChem CID 142104572) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is butane;methanamine;methylcyclopentane.

Molecular Properties

Compound Namebutane;methanamine;methylcyclopentane
PubChem CID142104572
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Namebutane;methanamine;methylcyclopentane
SMILESCC1CCCC1.CCCC.CN
InChIInChI=1S/C6H12.C4H10.CH5N/c1-6-4-2-3-5-6;1-3-4-2;1-2/h6H,2-5H2,1H3;3-4H2,1-2H3;2H2,1H3
InChIKeyYAGMXCWGSUOYMZ-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butane;methanamine;methylcyclopentane 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

butane;methylcyclopentane
CID 142053859
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
ethane;methylcyclopentane;propane
CID 142080084
methylcyclopentane
CID 7296
ethanamine;ethane;methylcyclohexane
CID 143506245
methane;methylcyclohexane;propane
CID 143031585
ethene;methylcyclopentane;propane
CID 143370211
erbium;tris(methylcyclopentane)
CID 91996115
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of butane;methanamine;methylcyclopentane?
The IUPAC name of butane;methanamine;methylcyclopentane (CID 142104572) is butane;methanamine;methylcyclopentane.
What is the SMILES notation for butane;methanamine;methylcyclopentane?
The canonical SMILES for butane;methanamine;methylcyclopentane is CC1CCCC1.CCCC.CN.
What is the InChIKey of butane;methanamine;methylcyclopentane?
The InChIKey is YAGMXCWGSUOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H10.CH5N/c1-6-4-2-3-5-6;1-3-4-2;1-2/h6H,2-5H2,1H3;3-4H2,1-2H3;2H2,1H3.
What are the key properties of butane;methanamine;methylcyclopentane?
butane;methanamine;methylcyclopentane has a molecular weight of 173.34 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methanamine;methylcyclopentane is sourced from PubChem (CID 142104572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).