N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine

C17H25N — CID 55105975

IUPACN-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine
SMILESCCCc1ccc(C2(C)CC2CNC2CC2)cc1
InChIInChI=1S/C17H25N/c1-3-4-13-5-7-14(8-6-13)17(2)11-15(17)12-18-16-9-10-16/h5-8,15-16,18H,3-4,9-12H2,1-2H3
InChIKeySXPIXGXQWGKYDF-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.67
Rot. Bonds6

About N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine

N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 55105975) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID55105975
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine
SMILESCCCc1ccc(C2(C)CC2CNC2CC2)cc1
InChIInChI=1S/C17H25N/c1-3-4-13-5-7-14(8-6-13)17(2)11-15(17)12-18-16-9-10-16/h5-8,15-16,18H,3-4,9-12H2,1-2H3
InChIKeySXPIXGXQWGKYDF-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine (CID 55105975) is N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine is CCCc1ccc(C2(C)CC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is SXPIXGXQWGKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-4-13-5-7-14(8-6-13)17(2)11-15(17)12-18-16-9-10-16/h5-8,15-16,18H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine?
N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 243.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-2-(4-propylphenyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 55105975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).