1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine

C19H31N — CID 105052388

IUPAC1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1ccccc1C1CCC1
InChIInChI=1S/C19H31N/c1-14(19(2,3)4)13-18(20-5)17-12-7-6-11-16(17)15-9-8-10-15/h6-7,11-12,14-15,18,20H,8-10,13H2,1-5H3
InChIKeyQNSNMKWJELLDPG-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.29
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine

1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 105052388) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID105052388
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1ccccc1C1CCC1
InChIInChI=1S/C19H31N/c1-14(19(2,3)4)13-18(20-5)17-12-7-6-11-16(17)15-9-8-10-15/h6-7,11-12,14-15,18,20H,8-10,13H2,1-5H3
InChIKeyQNSNMKWJELLDPG-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylphenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 114602810
1-(2-cyclobutylphenyl)-N-methyl-2-phenoxyethanamine
CID 114602891
1-(2-cyclobutylphenyl)-N-methylheptan-1-amine
CID 105052148
1-(2-cyclobutylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114602862
1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 115850527
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
CID 114603918
1-(2-cyclobutylphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114603689
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
1-(6-bicyclo[3.1.0]hexanyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052166
[2-cyclobutyl-1-(2-cyclobutylphenyl)ethyl]hydrazine
CID 103170854
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine (CID 105052388) is 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is QNSNMKWJELLDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(19(2,3)4)13-18(20-5)17-12-7-6-11-16(17)15-9-8-10-15/h6-7,11-12,14-15,18,20H,8-10,13H2,1-5H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine?
1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 105052388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).