N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine

C17H27N — CID 64663737

IUPACN-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
SMILESCc1cc(C)c(CCC(C)CNC2CC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12(11-18-16-6-7-16)5-8-17-14(3)9-13(2)10-15(17)4/h9-10,12,16,18H,5-8,11H2,1-4H3
InChIKeyCNOUWMRXWUFQJY-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.93
Rot. Bonds6

About N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine

N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine (PubChem CID 64663737) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
PubChem CID64663737
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
SMILESCc1cc(C)c(CCC(C)CNC2CC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12(11-18-16-6-7-16)5-8-17-14(3)9-13(2)10-15(17)4/h9-10,12,16,18H,5-8,11H2,1-4H3
InChIKeyCNOUWMRXWUFQJY-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N'-cyclopropyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 116950599
N-[3-(2,4-dimethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62453653
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 63354845
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63453897
N-[2,2-dimethyl-3-(2,4,6-trimethylphenyl)propyl]cyclopropanamine
CID 62725149

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine (CID 64663737) is N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine is Cc1cc(C)c(CCC(C)CNC2CC2)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine?
The InChIKey is CNOUWMRXWUFQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(11-18-16-6-7-16)5-8-17-14(3)9-13(2)10-15(17)4/h9-10,12,16,18H,5-8,11H2,1-4H3.
What are the key properties of N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine?
N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine has a molecular weight of 245.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 64663737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).