N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine

C23H41N — CID 130293899

IUPACN,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine
SMILESCNC(C)(C)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)C)cc1C
InChIInChI=1S/C23H41N/c1-17-14-18(21(5,6)15-20(2,3)4)12-13-19(17)22(7,8)16-23(9,10)24-11/h12-14,24H,15-16H2,1-11H3
InChIKeyXSQITIZIVBMQTK-UHFFFAOYSA-N
MW331.59 g/mol
LogP6.37
Rot. Bonds6

About N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine

N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine (PubChem CID 130293899) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine
PubChem CID130293899
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC NameN,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine
SMILESCNC(C)(C)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)C)cc1C
InChIInChI=1S/C23H41N/c1-17-14-18(21(5,6)15-20(2,3)4)12-13-19(17)22(7,8)16-23(9,10)24-11/h12-14,24H,15-16H2,1-11H3
InChIKeyXSQITIZIVBMQTK-UHFFFAOYSA-N
XLogP6.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine?
The IUPAC name of N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine (CID 130293899) is N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine.
What is the SMILES notation for N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine?
The canonical SMILES for N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine is CNC(C)(C)CC(C)(C)c1ccc(C(C)(C)CC(C)(C)C)cc1C.
What is the InChIKey of N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine?
The InChIKey is XSQITIZIVBMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-17-14-18(21(5,6)15-20(2,3)4)12-13-19(17)22(7,8)16-23(9,10)24-11/h12-14,24H,15-16H2,1-11H3.
What are the key properties of N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine?
N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine has a molecular weight of 331.59 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-4-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]pentan-2-amine is sourced from PubChem (CID 130293899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).