1-(2-ethylphenyl)-3-methylidenepentan-1-amine

C14H21N — CID 105006111

IUPAC1-(2-ethylphenyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccccc1CC
InChIInChI=1S/C14H21N/c1-4-11(3)10-14(15)13-9-7-6-8-12(13)5-2/h6-9,14H,3-5,10,15H2,1-2H3
InChIKeyVQLLHQUGZSFLDF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-ethylphenyl)-3-methylidenepentan-1-amine

1-(2-ethylphenyl)-3-methylidenepentan-1-amine (PubChem CID 105006111) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-methylidenepentan-1-amine
PubChem CID105006111
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(2-ethylphenyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccccc1CC
InChIInChI=1S/C14H21N/c1-4-11(3)10-14(15)13-9-7-6-8-12(13)5-2/h6-9,14H,3-5,10,15H2,1-2H3
InChIKeyVQLLHQUGZSFLDF-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
1-amino-1-(2-ethylphenyl)propan-2-one
CID 55294273
(1R)-1-(2-ethylphenyl)-2-methoxyethanamine
CID 146013091
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949
1-(2-ethylphenyl)pent-4-en-1-amine
CID 104987661
1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
CID 105005843
1-(2-ethylphenyl)-2-propan-2-yloxyethanamine
CID 105013375
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
CID 105005776
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(2-ethylphenyl)-3-methylidenepentan-1-amine (CID 105006111) is 1-(2-ethylphenyl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(2-ethylphenyl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)c1ccccc1CC.
What is the InChIKey of 1-(2-ethylphenyl)-3-methylidenepentan-1-amine?
The InChIKey is VQLLHQUGZSFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11(3)10-14(15)13-9-7-6-8-12(13)5-2/h6-9,14H,3-5,10,15H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-3-methylidenepentan-1-amine?
1-(2-ethylphenyl)-3-methylidenepentan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105006111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).