4-ethyl-N-hept-6-enyl-3-methylaniline

C16H25N — CID 114250202

IUPAC4-ethyl-N-hept-6-enyl-3-methylaniline
SMILESC=CCCCCCNc1ccc(CC)c(C)c1
InChIInChI=1S/C16H25N/c1-4-6-7-8-9-12-17-16-11-10-15(5-2)14(3)13-16/h4,10-11,13,17H,1,5-9,12H2,2-3H3
InChIKeyUIWBDIHYBJMRRO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.72
Rot. Bonds8

About 4-ethyl-N-hept-6-enyl-3-methylaniline

4-ethyl-N-hept-6-enyl-3-methylaniline (PubChem CID 114250202) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-ethyl-N-hept-6-enyl-3-methylaniline.

Molecular Properties

Compound Name4-ethyl-N-hept-6-enyl-3-methylaniline
PubChem CID114250202
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-ethyl-N-hept-6-enyl-3-methylaniline
SMILESC=CCCCCCNc1ccc(CC)c(C)c1
InChIInChI=1S/C16H25N/c1-4-6-7-8-9-12-17-16-11-10-15(5-2)14(3)13-16/h4,10-11,13,17H,1,5-9,12H2,2-3H3
InChIKeyUIWBDIHYBJMRRO-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-hept-6-enylaniline
CID 107006456
N-hept-6-enyl-3,4-dimethoxyaniline
CID 107006447
N-oct-7-enylaniline
CID 101291024
N-heptyl-3,4-dimethylaniline
CID 43129292
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
N-hept-6-enyl-4-(trifluoromethyl)aniline
CID 107006448
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 114250217
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
ethyl 5-[4-(undec-10-enylamino)phenyl]penta-2,4-dienoate
CID 54246822
1-hept-6-enyl-2,4-dimethylbenzene
CID 91041017
6-[3-(dimethylamino)-4-methylanilino]hexanal
CID 88587221

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-hept-6-enyl-3-methylaniline?
The IUPAC name of 4-ethyl-N-hept-6-enyl-3-methylaniline (CID 114250202) is 4-ethyl-N-hept-6-enyl-3-methylaniline.
What is the SMILES notation for 4-ethyl-N-hept-6-enyl-3-methylaniline?
The canonical SMILES for 4-ethyl-N-hept-6-enyl-3-methylaniline is C=CCCCCCNc1ccc(CC)c(C)c1.
What is the InChIKey of 4-ethyl-N-hept-6-enyl-3-methylaniline?
The InChIKey is UIWBDIHYBJMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-6-7-8-9-12-17-16-11-10-15(5-2)14(3)13-16/h4,10-11,13,17H,1,5-9,12H2,2-3H3.
What are the key properties of 4-ethyl-N-hept-6-enyl-3-methylaniline?
4-ethyl-N-hept-6-enyl-3-methylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hept-6-enyl-3-methylaniline is sourced from PubChem (CID 114250202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).