[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine

C17H27N — CID 117366355

IUPAC[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
SMILESCC(C)c1ccc(C(C)C)c(C2(CN)CCC2)c1
InChIInChI=1S/C17H27N/c1-12(2)14-6-7-15(13(3)4)16(10-14)17(11-18)8-5-9-17/h6-7,10,12-13H,5,8-9,11,18H2,1-4H3
InChIKeyADJHLUHLVDTILD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.31
Rot. Bonds4

About [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine

[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine (PubChem CID 117366355) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
PubChem CID117366355
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
SMILESCC(C)c1ccc(C(C)C)c(C2(CN)CCC2)c1
InChIInChI=1S/C17H27N/c1-12(2)14-6-7-15(13(3)4)16(10-14)17(11-18)8-5-9-17/h6-7,10,12-13H,5,8-9,11,18H2,1-4H3
InChIKeyADJHLUHLVDTILD-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117351296
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
CID 117452768
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444

Frequently Asked Questions

What is the IUPAC name of [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine (CID 117366355) is [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine is CC(C)c1ccc(C(C)C)c(C2(CN)CCC2)c1.
What is the InChIKey of [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine?
The InChIKey is ADJHLUHLVDTILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-6-7-15(13(3)4)16(10-14)17(11-18)8-5-9-17/h6-7,10,12-13H,5,8-9,11,18H2,1-4H3.
What are the key properties of [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine?
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117366355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).