N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine

C17H27NO — CID 104530006

IUPACN-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCOCCCCCNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO/c1-14-7-6-8-15(11-14)16-12-17(13-16)18-9-4-3-5-10-19-2/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3
InChIKeyIQNNWJBUQPGMIY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds8

About N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine

N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 104530006) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID104530006
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCOCCCCCNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO/c1-14-7-6-8-15(11-14)16-12-17(13-16)18-9-4-3-5-10-19-2/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3
InChIKeyIQNNWJBUQPGMIY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
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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Related Compounds

3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
CID 104530614
3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634799
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
CID 103779816
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632936
3-(3-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64518980
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine (CID 104530006) is N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine is COCCCCCNC1CC(c2cccc(C)c2)C1.
What is the InChIKey of N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is IQNNWJBUQPGMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-7-6-8-15(11-14)16-12-17(13-16)18-9-4-3-5-10-19-2/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine?
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 104530006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).