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

C15H23N — CID 43632690

IUPAC3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCC(C)C)C2)c1
InChIInChI=1S/C15H23N/c1-11(2)10-16-15-8-14(9-15)13-6-4-5-12(3)7-13/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyCMMASVUEZLXHMJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds4

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

3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine (PubChem CID 43632690) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
PubChem CID43632690
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCC(C)C)C2)c1
InChIInChI=1S/C15H23N/c1-11(2)10-16-15-8-14(9-15)13-6-4-5-12(3)7-13/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyCMMASVUEZLXHMJ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527
3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634799
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-(3-methylphenyl)-N-(4-propan-2-yloxybutyl)cyclobutan-1-amine
CID 104530614
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine (CID 43632690) is 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCC(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
The InChIKey is CMMASVUEZLXHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)10-16-15-8-14(9-15)13-6-4-5-12(3)7-13/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 43632690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).