N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine

C18H27N — CID 65014569

IUPACN-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
SMILESCC(C)(C)C1CC(CNC2CC2)(c2ccccc2)C1
InChIInChI=1S/C18H27N/c1-17(2,3)15-11-18(12-15,13-19-16-9-10-16)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3
InChIKeyXSXXJVZAXKUFED-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.13
Rot. Bonds4

About N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine

N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine (PubChem CID 65014569) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
PubChem CID65014569
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
SMILESCC(C)(C)C1CC(CNC2CC2)(c2ccccc2)C1
InChIInChI=1S/C18H27N/c1-17(2,3)15-11-18(12-15,13-19-16-9-10-16)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3
InChIKeyXSXXJVZAXKUFED-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine (CID 65014569) is N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine is CC(C)(C)C1CC(CNC2CC2)(c2ccccc2)C1.
What is the InChIKey of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine?
The InChIKey is XSXXJVZAXKUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-17(2,3)15-11-18(12-15,13-19-16-9-10-16)14-7-5-4-6-8-14/h4-8,15-16,19H,9-13H2,1-3H3.
What are the key properties of N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine?
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine is sourced from PubChem (CID 65014569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).