bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine

C28H65N — CID 164988773

IUPACbis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
SMILESC.C1CCCC1.C1CCCC1.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1
InChIInChI=1S/C5H11N.2C5H10.3C4H10.CH4/c1-6-4-2-3-5-6;2*1-2-4-5-3-1;3*1-4(2)3;/h2-5H2,1H3;2*1-5H2;3*4H,1-3H3;1H4
InChIKeyGNXPBDOQRJFTMO-UHFFFAOYSA-N
MW415.84 g/mol
LogP10.24
Rot. Bonds

About bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine

bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine (PubChem CID 164988773) has the molecular formula C28H65N and a molecular weight of 415.84 g/mol. Its IUPAC name is bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine.

Molecular Properties

Compound Namebis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
PubChem CID164988773
Molecular FormulaC28H65N
Molecular Weight415.84 g/mol
Exact Mass415.51
IUPAC Namebis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
SMILESC.C1CCCC1.C1CCCC1.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1
InChIInChI=1S/C5H11N.2C5H10.3C4H10.CH4/c1-6-4-2-3-5-6;2*1-2-4-5-3-1;3*1-4(2)3;/h2-5H2,1H3;2*1-5H2;3*4H,1-3H3;1H4
InChIKeyGNXPBDOQRJFTMO-UHFFFAOYSA-N
XLogP10.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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methane;tris(1-methylpiperidine)
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1-methylpiperidine
CID 90254979
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azane;ethane;methane;1-methylpiperidine
CID 159571038
CID 68772535
CID 68772535
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
CID 160567217
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
lithium;di(propan-2-yl)azanide;1-methylpiperidine
CID 141131230

Frequently Asked Questions

What is the IUPAC name of bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine?
The IUPAC name of bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine (CID 164988773) is bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine.
What is the SMILES notation for bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine?
The canonical SMILES for bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine is C.C1CCCC1.C1CCCC1.CC(C)C.CC(C)C.CC(C)C.CN1CCCC1.
What is the InChIKey of bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine?
The InChIKey is GNXPBDOQRJFTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.2C5H10.3C4H10.CH4/c1-6-4-2-3-5-6;2*1-2-4-5-3-1;3*1-4(2)3;/h2-5H2,1H3;2*1-5H2;3*4H,1-3H3;1H4.
What are the key properties of bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine?
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine has a molecular weight of 415.84 g/mol, XLogP of 10.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine is sourced from PubChem (CID 164988773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).