methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene

C16H31N — CID 144516441

IUPACmethanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
SMILESC.CC(C)(C)CC(C)(C)c1ccccc1.CN
InChIInChI=1S/C14H22.CH5N.CH4/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12;1-2;/h6-10H,11H2,1-5H3;2H2,1H3;1H4
InChIKeyCRODZXLORHXYDQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.61
Rot. Bonds2

About methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene

methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene (PubChem CID 144516441) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene.

Molecular Properties

Compound Namemethanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
PubChem CID144516441
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Namemethanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
SMILESC.CC(C)(C)CC(C)(C)c1ccccc1.CN
InChIInChI=1S/C14H22.CH5N.CH4/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12;1-2;/h6-10H,11H2,1-5H3;2H2,1H3;1H4
InChIKeyCRODZXLORHXYDQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
Pentadecylbenzene
CID 16476
Dodecylbenzene
CID 31237
1,4-Di-tert-butylbenzene
CID 13895
tert-Amylbenzene
CID 16295
(1-Phenylcyclopentyl)methanamine
CID 205131
Undecylbenzene
CID 23194
Tridecylbenzene
CID 31238
Dimethyldiphenylmethane
CID 13065
5-Tert-butyl-m-xylene
CID 7378
Decylbenzene
CID 7716

Frequently Asked Questions

What is the IUPAC name of methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene?
The IUPAC name of methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene (CID 144516441) is methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene.
What is the SMILES notation for methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene?
The canonical SMILES for methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene is C.CC(C)(C)CC(C)(C)c1ccccc1.CN.
What is the InChIKey of methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene?
The InChIKey is CRODZXLORHXYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.CH5N.CH4/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12;1-2;/h6-10H,11H2,1-5H3;2H2,1H3;1H4.
What are the key properties of methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene?
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene has a molecular weight of 237.43 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene is sourced from PubChem (CID 144516441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).