N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile

C14H22N2 — CID 161054115

IUPACN-ethyl-2,6-dimethyl-4-propylaniline;formonitrile
SMILESC#N.CCCc1cc(C)c(NCC)c(C)c1
InChIInChI=1S/C13H21N.CHN/c1-5-7-12-8-10(3)13(14-6-2)11(4)9-12;1-2/h8-9,14H,5-7H2,1-4H3;1H
InChIKeyUCNCONHCGFEZRS-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.83
Rot. Bonds4

About N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile

N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile (PubChem CID 161054115) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile.

Molecular Properties

Compound NameN-ethyl-2,6-dimethyl-4-propylaniline;formonitrile
PubChem CID161054115
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-2,6-dimethyl-4-propylaniline;formonitrile
SMILESC#N.CCCc1cc(C)c(NCC)c(C)c1
InChIInChI=1S/C13H21N.CHN/c1-5-7-12-8-10(3)13(14-6-2)11(4)9-12;1-2/h8-9,14H,5-7H2,1-4H3;1H
InChIKeyUCNCONHCGFEZRS-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,4,6-trimethylaniline;trichlorocobalt
CID 175492327
N-ethyl-4-methoxy-2,6-dimethylaniline
CID 23348858
1-iodo-2,3-dimethyl-5-propylbenzene
CID 171831692
1-methyl-2-(3-methyl-5-propylphenyl)hydrazine
CID 142380413
[3-(ethylamino)-2,4,5-trimethylphenyl]methanethiol
CID 174992076
ethane;N,2,4-trimethyl-6-propylaniline
CID 144922469
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
N-ethyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812059
N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
(3,5-dipropylphenyl)methanol
CID 23592581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile?
The IUPAC name of N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile (CID 161054115) is N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile.
What is the SMILES notation for N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile?
The canonical SMILES for N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile is C#N.CCCc1cc(C)c(NCC)c(C)c1.
What is the InChIKey of N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile?
The InChIKey is UCNCONHCGFEZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.CHN/c1-5-7-12-8-10(3)13(14-6-2)11(4)9-12;1-2/h8-9,14H,5-7H2,1-4H3;1H.
What are the key properties of N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile?
N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile has a molecular weight of 218.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethyl-4-propylaniline;formonitrile is sourced from PubChem (CID 161054115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).