N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine

C18H27N — CID 43635351

IUPACN-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCC3CCCCC3)C2)cc1
InChIInChI=1S/C18H27N/c1-14-7-9-16(10-8-14)17-11-18(12-17)19-13-15-5-3-2-4-6-15/h7-10,15,17-19H,2-6,11-13H2,1H3
InChIKeyHUIMSVCYSXLIHG-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds4

About N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine

N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43635351) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43635351
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCC3CCCCC3)C2)cc1
InChIInChI=1S/C18H27N/c1-14-7-9-16(10-8-14)17-11-18(12-17)19-13-15-5-3-2-4-6-15/h7-10,15,17-19H,2-6,11-13H2,1H3
InChIKeyHUIMSVCYSXLIHG-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine (CID 43635351) is N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCC3CCCCC3)C2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is HUIMSVCYSXLIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-7-9-16(10-8-14)17-11-18(12-17)19-13-15-5-3-2-4-6-15/h7-10,15,17-19H,2-6,11-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine?
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43635351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).