N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine

C18H29N — CID 63843288

IUPACN-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCCC(CC)C(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C18H29N/c1-5-15(6-2)14(4)19-18-11-17(12-18)16-9-7-8-13(3)10-16/h7-10,14-15,17-19H,5-6,11-12H2,1-4H3
InChIKeyRFLCCLFQZZGTOD-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.66
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine

N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 63843288) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID63843288
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCCC(CC)C(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C18H29N/c1-5-15(6-2)14(4)19-18-11-17(12-18)16-9-7-8-13(3)10-16/h7-10,14-15,17-19H,5-6,11-12H2,1-4H3
InChIKeyRFLCCLFQZZGTOD-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
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
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
N-ethyl-N-methyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 103106978
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine (CID 63843288) is N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine is CCC(CC)C(C)NC1CC(c2cccc(C)c2)C1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is RFLCCLFQZZGTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-15(6-2)14(4)19-18-11-17(12-18)16-9-7-8-13(3)10-16/h7-10,14-15,17-19H,5-6,11-12H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine?
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 63843288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).