N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide

C15H22N2O — CID 43275737

IUPACN-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
SMILESCCCN(C(=O)C1CCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-2-10-17(15(18)13-4-3-5-13)14-8-6-12(11-16)7-9-14/h6-9,13H,2-5,10-11,16H2,1H3
InChIKeyDRMUFPQBUGAROC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.69
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide

N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide (PubChem CID 43275737) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
PubChem CID43275737
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
SMILESCCCN(C(=O)C1CCC1)c1ccc(CN)cc1
InChIInChI=1S/C15H22N2O/c1-2-10-17(15(18)13-4-3-5-13)14-8-6-12(11-16)7-9-14/h6-9,13H,2-5,10-11,16H2,1H3
InChIKeyDRMUFPQBUGAROC-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide (CID 43275737) is N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide is CCCN(C(=O)C1CCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide?
The InChIKey is DRMUFPQBUGAROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-10-17(15(18)13-4-3-5-13)14-8-6-12(11-16)7-9-14/h6-9,13H,2-5,10-11,16H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide?
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide is sourced from PubChem (CID 43275737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).