3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine

C18H29NO — CID 104530614

IUPAC3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCCCOC(C)C)C2)c1
InChIInChI=1S/C18H29NO/c1-14(2)20-10-5-4-9-19-18-12-17(13-18)16-8-6-7-15(3)11-16/h6-8,11,14,17-19H,4-5,9-10,12-13H2,1-3H3
InChIKeyPBTVFMZENHVEQZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds8

About 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine (PubChem CID 104530614) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
PubChem CID104530614
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCCCCOC(C)C)C2)c1
InChIInChI=1S/C18H29NO/c1-14(2)20-10-5-4-9-19-18-12-17(13-18)16-8-6-7-15(3)11-16/h6-8,11,14,17-19H,4-5,9-10,12-13H2,1-3H3
InChIKeyPBTVFMZENHVEQZ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
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-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634799
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
3-(3-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 64518980
N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 61021464

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine (CID 104530614) is 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCCCCOC(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine?
The InChIKey is PBTVFMZENHVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-10-5-4-9-19-18-12-17(13-18)16-8-6-7-15(3)11-16/h6-8,11,14,17-19H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine is sourced from PubChem (CID 104530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).