1-[4-(aminomethyl)phenyl]undecan-1-one

C18H29NO — CID 116548206

IUPAC1-[4-(aminomethyl)phenyl]undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-10-18(20)17-13-11-16(15-19)12-14-17/h11-14H,2-10,15,19H2,1H3
InChIKeyURPWFNTXVARKJJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.86
Rot. Bonds11

About 1-[4-(aminomethyl)phenyl]undecan-1-one

1-[4-(aminomethyl)phenyl]undecan-1-one (PubChem CID 116548206) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]undecan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]undecan-1-one
PubChem CID116548206
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[4-(aminomethyl)phenyl]undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-10-18(20)17-13-11-16(15-19)12-14-17/h11-14H,2-10,15,19H2,1H3
InChIKeyURPWFNTXVARKJJ-UHFFFAOYSA-N
XLogP4.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]undecan-1-one?
The IUPAC name of 1-[4-(aminomethyl)phenyl]undecan-1-one (CID 116548206) is 1-[4-(aminomethyl)phenyl]undecan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]undecan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]undecan-1-one is CCCCCCCCCCC(=O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]undecan-1-one?
The InChIKey is URPWFNTXVARKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-10-18(20)17-13-11-16(15-19)12-14-17/h11-14H,2-10,15,19H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]undecan-1-one?
1-[4-(aminomethyl)phenyl]undecan-1-one has a molecular weight of 275.44 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]undecan-1-one is sourced from PubChem (CID 116548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).