N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine

C17H27N — CID 65308480

IUPACN-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCc1ccc(C)c(CCC(C)(C)CNC2CC2)c1
InChIInChI=1S/C17H27N/c1-13-5-6-14(2)15(11-13)9-10-17(3,4)12-18-16-7-8-16/h5-6,11,16,18H,7-10,12H2,1-4H3
InChIKeyVYLFSJGXFALOBP-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.01
Rot. Bonds6

About N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine

N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine (PubChem CID 65308480) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
PubChem CID65308480
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
SMILESCc1ccc(C)c(CCC(C)(C)CNC2CC2)c1
InChIInChI=1S/C17H27N/c1-13-5-6-14(2)15(11-13)9-10-17(3,4)12-18-16-7-8-16/h5-6,11,16,18H,7-10,12H2,1-4H3
InChIKeyVYLFSJGXFALOBP-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine (CID 65308480) is N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine is Cc1ccc(C)c(CCC(C)(C)CNC2CC2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
The InChIKey is VYLFSJGXFALOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-5-6-14(2)15(11-13)9-10-17(3,4)12-18-16-7-8-16/h5-6,11,16,18H,7-10,12H2,1-4H3.
What are the key properties of N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine?
N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine has a molecular weight of 245.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 65308480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).