N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline

C19H33N — CID 118933000

IUPACN-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline
SMILESCCC(C)(CC)N(C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H33N/c1-9-19(7,10-2)20(8)18-16(14(3)4)12-11-13-17(18)15(5)6/h11-15H,9-10H2,1-8H3
InChIKeyLUFZOPKZJAHRMG-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.95
Rot. Bonds6

About N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline

N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline (PubChem CID 118933000) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline
PubChem CID118933000
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline
SMILESCCC(C)(CC)N(C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H33N/c1-9-19(7,10-2)20(8)18-16(14(3)4)12-11-13-17(18)15(5)6/h11-15H,9-10H2,1-8H3
InChIKeyLUFZOPKZJAHRMG-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline (CID 118933000) is N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline is CCC(C)(CC)N(C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline?
The InChIKey is LUFZOPKZJAHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-9-19(7,10-2)20(8)18-16(14(3)4)12-11-13-17(18)15(5)6/h11-15H,9-10H2,1-8H3.
What are the key properties of N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline?
N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline has a molecular weight of 275.48 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 118933000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).