2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen

C13H23N — CID 145358889

IUPAC2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
SMILESCCc1c(C)ccc(C(C)C)c1NC.[H][H]
InChIInChI=1S/C13H21N.H2/c1-6-11-10(4)7-8-12(9(2)3)13(11)14-5;/h7-9,14H,6H2,1-5H3;1H
InChIKeyYMWSWOUYQSGYJB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.97
Rot. Bonds3

About 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen

2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen (PubChem CID 145358889) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen.

Molecular Properties

Compound Name2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
PubChem CID145358889
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen
SMILESCCc1c(C)ccc(C(C)C)c1NC.[H][H]
InChIInChI=1S/C13H21N.H2/c1-6-11-10(4)7-8-12(9(2)3)13(11)14-5;/h7-9,14H,6H2,1-5H3;1H
InChIKeyYMWSWOUYQSGYJB-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
1-butan-2-yl-3-ethyl-4-methyl-2-propan-2-ylbenzene
CID 123429131
2,6-dimethyl-3-propan-2-yl-N-propylaniline
CID 142447891
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
CID 117299228
N,4-dimethyl-2,6-di(propan-2-yl)aniline
CID 154688627
N,4-dimethyl-3-propan-2-ylaniline
CID 45096209
3-ethyl-N,2,5,8-tetramethylquinolin-4-amine
CID 62204126
N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 155183412
4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline
CID 145139465
4-methyl-7-propan-2-yl-2,3-dihydro-1H-benzimidazole;molecular hydrogen
CID 145358907

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen?
The IUPAC name of 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen (CID 145358889) is 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen.
What is the SMILES notation for 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen?
The canonical SMILES for 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen is CCc1c(C)ccc(C(C)C)c1NC.[H][H].
What is the InChIKey of 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen?
The InChIKey is YMWSWOUYQSGYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.H2/c1-6-11-10(4)7-8-12(9(2)3)13(11)14-5;/h7-9,14H,6H2,1-5H3;1H.
What are the key properties of 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen?
2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen has a molecular weight of 193.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,3-dimethyl-6-propan-2-ylaniline;molecular hydrogen is sourced from PubChem (CID 145358889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).