[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine

C17H27N — CID 65017231

IUPAC[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCC(C)c1ccc(C2(CN)CC(C(C)C)C2)cc1
InChIInChI=1S/C17H27N/c1-12(2)14-5-7-16(8-6-14)17(11-18)9-15(10-17)13(3)4/h5-8,12-13,15H,9-11,18H2,1-4H3
InChIKeyINJCLPKJSOOYHG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.07
Rot. Bonds4

About [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine

[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine (PubChem CID 65017231) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
PubChem CID65017231
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
SMILESCC(C)c1ccc(C2(CN)CC(C(C)C)C2)cc1
InChIInChI=1S/C17H27N/c1-12(2)14-5-7-16(8-6-14)17(11-18)9-15(10-17)13(3)4/h5-8,12-13,15H,9-11,18H2,1-4H3
InChIKeyINJCLPKJSOOYHG-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine (CID 65017231) is [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine is CC(C)c1ccc(C2(CN)CC(C(C)C)C2)cc1.
What is the InChIKey of [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine?
The InChIKey is INJCLPKJSOOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-5-7-16(8-6-14)17(11-18)9-15(10-17)13(3)4/h5-8,12-13,15H,9-11,18H2,1-4H3.
What are the key properties of [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine?
[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 65017231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).