8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide

C19H30N2O — CID 142098297

IUPAC8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide
SMILESC=C(CCCC(CCC)c1cccc(CN)c1)CCC(N)=O
InChIInChI=1S/C19H30N2O/c1-3-6-17(18-10-5-8-16(13-18)14-20)9-4-7-15(2)11-12-19(21)22/h5,8,10,13,17H,2-4,6-7,9,11-12,14,20H2,1H3,(H2,21,22)
InChIKeyCGFWKYPOCOJEJJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.02
Rot. Bonds11

About 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide

8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide (PubChem CID 142098297) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide.

Molecular Properties

Compound Name8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide
PubChem CID142098297
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide
SMILESC=C(CCCC(CCC)c1cccc(CN)c1)CCC(N)=O
InChIInChI=1S/C19H30N2O/c1-3-6-17(18-10-5-8-16(13-18)14-20)9-4-7-15(2)11-12-19(21)22/h5,8,10,13,17H,2-4,6-7,9,11-12,14,20H2,1H3,(H2,21,22)
InChIKeyCGFWKYPOCOJEJJ-UHFFFAOYSA-N
XLogP4.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide?
The IUPAC name of 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide (CID 142098297) is 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide.
What is the SMILES notation for 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide?
The canonical SMILES for 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide is C=C(CCCC(CCC)c1cccc(CN)c1)CCC(N)=O.
What is the InChIKey of 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide?
The InChIKey is CGFWKYPOCOJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-6-17(18-10-5-8-16(13-18)14-20)9-4-7-15(2)11-12-19(21)22/h5,8,10,13,17H,2-4,6-7,9,11-12,14,20H2,1H3,(H2,21,22).
What are the key properties of 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide?
8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide has a molecular weight of 302.46 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide is sourced from PubChem (CID 142098297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).