N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine

C15H23NO — CID 43634549

IUPACN-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCOCCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-12-6-3-4-7-15(12)13-10-14(11-13)16-8-5-9-17-2/h3-4,6-7,13-14,16H,5,8-11H2,1-2H3
InChIKeyMRHKYJSSKPDYGJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.87
Rot. Bonds6

About N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine

N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43634549) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43634549
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCOCCCNC1CC(c2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-12-6-3-4-7-15(12)13-10-14(11-13)16-8-5-9-17-2/h3-4,6-7,13-14,16H,5,8-11H2,1-2H3
InChIKeyMRHKYJSSKPDYGJ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.87
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 N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine (CID 43634549) is N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine is COCCCNC1CC(c2ccccc2C)C1.
What is the InChIKey of N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is MRHKYJSSKPDYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-3-4-7-15(12)13-10-14(11-13)16-8-5-9-17-2/h3-4,6-7,13-14,16H,5,8-11H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine?
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).