N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine

C17H27N — CID 43635375

IUPACN-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)CC(C)C)C1
InChIInChI=1S/C17H27N/c1-12(2)9-14(4)18-16-10-15(11-16)17-8-6-5-7-13(17)3/h5-8,12,14-16,18H,9-11H2,1-4H3
InChIKeyPTHWPKYPNDWIIN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds5

About N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine

N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43635375) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43635375
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)CC(C)C)C1
InChIInChI=1S/C17H27N/c1-12(2)9-14(4)18-16-10-15(11-16)17-8-6-5-7-13(17)3/h5-8,12,14-16,18H,9-11H2,1-4H3
InChIKeyPTHWPKYPNDWIIN-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine (CID 43635375) is N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NC(C)CC(C)C)C1.
What is the InChIKey of N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is PTHWPKYPNDWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)9-14(4)18-16-10-15(11-16)17-8-6-5-7-13(17)3/h5-8,12,14-16,18H,9-11H2,1-4H3.
What are the key properties of N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine?
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43635375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).