N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine

C17H27N — CID 62725149

IUPACN-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine
SMILESCc1cc(C)c(CC(C)(C)CNC2CC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)10-17(4,5)11-18-15-6-7-15/h8-9,15,18H,6-7,10-11H2,1-5H3
InChIKeyKNHOTTDLVMANIJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.93
Rot. Bonds5

About N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine

N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine (PubChem CID 62725149) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine
PubChem CID62725149
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine
SMILESCc1cc(C)c(CC(C)(C)CNC2CC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)10-17(4,5)11-18-15-6-7-15/h8-9,15,18H,6-7,10-11H2,1-5H3
InChIKeyKNHOTTDLVMANIJ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine (CID 62725149) is N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine is Cc1cc(C)c(CC(C)(C)CNC2CC2)c(C)c1.
What is the InChIKey of N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine?
The InChIKey is KNHOTTDLVMANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-8-13(2)16(14(3)9-12)10-17(4,5)11-18-15-6-7-15/h8-9,15,18H,6-7,10-11H2,1-5H3.
What are the key properties of N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine?
N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine has a molecular weight of 245.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 62725149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).