2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine

C14H20N2O — CID 114120140

IUPAC2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCOC1(CN2Cc3ccc(N)cc3C2)CCC1
InChIInChI=1S/C14H20N2O/c1-17-14(5-2-6-14)10-16-8-11-3-4-13(15)7-12(11)9-16/h3-4,7H,2,5-6,8-10,15H2,1H3
InChIKeyAUUHRHDSUJSANO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.15
Rot. Bonds3

About 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine

2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 114120140) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID114120140
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCOC1(CN2Cc3ccc(N)cc3C2)CCC1
InChIInChI=1S/C14H20N2O/c1-17-14(5-2-6-14)10-16-8-11-3-4-13(15)7-12(11)9-16/h3-4,7H,2,5-6,8-10,15H2,1H3
InChIKeyAUUHRHDSUJSANO-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine (CID 114120140) is 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine is COC1(CN2Cc3ccc(N)cc3C2)CCC1.
What is the InChIKey of 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is AUUHRHDSUJSANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-14(5-2-6-14)10-16-8-11-3-4-13(15)7-12(11)9-16/h3-4,7H,2,5-6,8-10,15H2,1H3.
What are the key properties of 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 232.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxycyclobutyl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 114120140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).