3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine

C19H33N — CID 79830467

IUPAC3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H33N/c1-9-11-20-12-10-19(7,8)18-16(5)14(3)13(2)15(4)17(18)6/h20H,9-12H2,1-8H3
InChIKeyFNIJTGHCOPSJBT-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.90
Rot. Bonds6

About 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine

3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine (PubChem CID 79830467) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine
PubChem CID79830467
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H33N/c1-9-11-20-12-10-19(7,8)18-16(5)14(3)13(2)15(4)17(18)6/h20H,9-12H2,1-8H3
InChIKeyFNIJTGHCOPSJBT-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023147
3-methyl-N-propyl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350472
3-(3,5-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023408
3-methyl-N-propyl-3-(1H-pyrrol-3-yl)butan-1-amine
CID 79829614
3-(2,5-dichlorothiophen-3-yl)-3-methyl-N-propylbutan-1-amine
CID 79830855
3-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 104516794
3-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114667026
3-(4-chloro-2-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023002
3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 107331523
3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine (CID 79830467) is 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine is CCCNCCC(C)(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine?
The InChIKey is FNIJTGHCOPSJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-9-11-20-12-10-19(7,8)18-16(5)14(3)13(2)15(4)17(18)6/h20H,9-12H2,1-8H3.
What are the key properties of 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine?
3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,3,4,5,6-pentamethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 79830467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).