cyclobutane;bis(1,3-dimethylcyclobutane);methanamine

C18H42N2 — CID 159698957

IUPACcyclobutane;bis(1,3-dimethylcyclobutane);methanamine
SMILESC1CCC1.CC1CC(C)C1.CC1CC(C)C1.CN.CN
InChIInChI=1S/2C6H12.C4H8.2CH5N/c2*1-5-3-6(2)4-5;1-2-4-3-1;2*1-2/h2*5-6H,3-4H2,1-2H3;1-4H2;2*2H2,1H3
InChIKeyMXJJGLBLYSCZLX-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.82
Rot. Bonds

About cyclobutane;bis(1,3-dimethylcyclobutane);methanamine

cyclobutane;bis(1,3-dimethylcyclobutane);methanamine (PubChem CID 159698957) has the molecular formula C18H42N2 and a molecular weight of 286.55 g/mol. Its IUPAC name is cyclobutane;bis(1,3-dimethylcyclobutane);methanamine.

Molecular Properties

Compound Namecyclobutane;bis(1,3-dimethylcyclobutane);methanamine
PubChem CID159698957
Molecular FormulaC18H42N2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC Namecyclobutane;bis(1,3-dimethylcyclobutane);methanamine
SMILESC1CCC1.CC1CC(C)C1.CC1CC(C)C1.CN.CN
InChIInChI=1S/2C6H12.C4H8.2CH5N/c2*1-5-3-6(2)4-5;1-2-4-3-1;2*1-2/h2*5-6H,3-4H2,1-2H3;1-4H2;2*2H2,1H3
InChIKeyMXJJGLBLYSCZLX-UHFFFAOYSA-N
XLogP4.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123355776
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
cyclohexane;methanamine
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formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
(1R)-1,3-dimethylcyclohexane
CID 12594306
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
butane;methanamine;methylcyclopentane
CID 142104572
CID 175388606
CID 175388606
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclooctane;methylcyclobutane
CID 159456217

Frequently Asked Questions

What is the IUPAC name of cyclobutane;bis(1,3-dimethylcyclobutane);methanamine?
The IUPAC name of cyclobutane;bis(1,3-dimethylcyclobutane);methanamine (CID 159698957) is cyclobutane;bis(1,3-dimethylcyclobutane);methanamine.
What is the SMILES notation for cyclobutane;bis(1,3-dimethylcyclobutane);methanamine?
The canonical SMILES for cyclobutane;bis(1,3-dimethylcyclobutane);methanamine is C1CCC1.CC1CC(C)C1.CC1CC(C)C1.CN.CN.
What is the InChIKey of cyclobutane;bis(1,3-dimethylcyclobutane);methanamine?
The InChIKey is MXJJGLBLYSCZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.C4H8.2CH5N/c2*1-5-3-6(2)4-5;1-2-4-3-1;2*1-2/h2*5-6H,3-4H2,1-2H3;1-4H2;2*2H2,1H3.
What are the key properties of cyclobutane;bis(1,3-dimethylcyclobutane);methanamine?
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine has a molecular weight of 286.55 g/mol, XLogP of 4.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;bis(1,3-dimethylcyclobutane);methanamine is sourced from PubChem (CID 159698957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).