1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane

C15H29N — CID 143578858

IUPAC1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
SMILESC.CCc1ccccc1C(C)(C)CC.CN
InChIInChI=1S/C13H20.CH5N.CH4/c1-5-11-9-7-8-10-12(11)13(3,4)6-2;1-2;/h7-10H,5-6H2,1-4H3;2H2,1H3;1H4
InChIKeyFYQQROPWJYRRFH-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds3

About 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane

1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane (PubChem CID 143578858) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane.

Molecular Properties

Compound Name1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
PubChem CID143578858
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
SMILESC.CCc1ccccc1C(C)(C)CC.CN
InChIInChI=1S/C13H20.CH5N.CH4/c1-5-11-9-7-8-10-12(11)13(3,4)6-2;1-2;/h7-10H,5-6H2,1-4H3;2H2,1H3;1H4
InChIKeyFYQQROPWJYRRFH-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane?
The IUPAC name of 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane (CID 143578858) is 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane.
What is the SMILES notation for 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane?
The canonical SMILES for 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane is C.CCc1ccccc1C(C)(C)CC.CN.
What is the InChIKey of 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane?
The InChIKey is FYQQROPWJYRRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.CH5N.CH4/c1-5-11-9-7-8-10-12(11)13(3,4)6-2;1-2;/h7-10H,5-6H2,1-4H3;2H2,1H3;1H4.
What are the key properties of 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane?
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane has a molecular weight of 223.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane is sourced from PubChem (CID 143578858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).