N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine

C19H31N — CID 65011194

IUPACN-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
SMILESCCCC1CC(CNC(C)C)(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H31N/c1-6-7-17-11-19(12-17,13-20-14(2)3)18-9-15(4)8-16(5)10-18/h8-10,14,17,20H,6-7,11-13H2,1-5H3
InChIKeyZNHWPABUDLFNOJ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.75
Rot. Bonds6

About N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine

N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine (PubChem CID 65011194) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
PubChem CID65011194
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
SMILESCCCC1CC(CNC(C)C)(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H31N/c1-6-7-17-11-19(12-17,13-20-14(2)3)18-9-15(4)8-16(5)10-18/h8-10,14,17,20H,6-7,11-13H2,1-5H3
InChIKeyZNHWPABUDLFNOJ-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine (CID 65011194) is N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine is CCCC1CC(CNC(C)C)(c2cc(C)cc(C)c2)C1.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
The InChIKey is ZNHWPABUDLFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-7-17-11-19(12-17,13-20-14(2)3)18-9-15(4)8-16(5)10-18/h8-10,14,17,20H,6-7,11-13H2,1-5H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65011194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).