2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine

C16H25N — CID 79329321

IUPAC2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccc(CC)cc1)CC
InChIInChI=1S/C16H25N/c1-4-11-17-13-15(6-3)12-16-9-7-14(5-2)8-10-16/h7-10,12,17H,4-6,11,13H2,1-3H3
InChIKeyKOAQLJBNLPZPRE-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.04
Rot. Bonds7

About 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine

2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine (PubChem CID 79329321) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
PubChem CID79329321
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccc(CC)cc1)CC
InChIInChI=1S/C16H25N/c1-4-11-17-13-15(6-3)12-16-9-7-14(5-2)8-10-16/h7-10,12,17H,4-6,11,13H2,1-3H3
InChIKeyKOAQLJBNLPZPRE-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-3-methylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329444
2-[(3-bromo-4-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79328867
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
CID 105379764
2-[(1-phenylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79329897
2-[(1-methylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79330103
2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
CID 79329556
(2E)-2-[(3-bromofuran-2-yl)methylidene]-N-propylbutan-1-amine
CID 106889685
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
1-(2,2-dichloroethenyl)-4-ethylbenzene
CID 150384278

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine?
The IUPAC name of 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine (CID 79329321) is 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine?
The canonical SMILES for 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine is CCCNCC(=Cc1ccc(CC)cc1)CC.
What is the InChIKey of 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine?
The InChIKey is KOAQLJBNLPZPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-11-17-13-15(6-3)12-16-9-7-14(5-2)8-10-16/h7-10,12,17H,4-6,11,13H2,1-3H3.
What are the key properties of 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine?
2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine is sourced from PubChem (CID 79329321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).