4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine

C16H35NO — CID 146322548

IUPAC4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine
SMILESCCCCC(C)(C)NCC(C)(C)CC(C)(C)OC
InChIInChI=1S/C16H35NO/c1-9-10-11-15(4,5)17-13-14(2,3)12-16(6,7)18-8/h17H,9-13H2,1-8H3
InChIKeyBMCFYRVFNDYHBJ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.39
Rot. Bonds9

About 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine

4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine (PubChem CID 146322548) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine
PubChem CID146322548
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine
SMILESCCCCC(C)(C)NCC(C)(C)CC(C)(C)OC
InChIInChI=1S/C16H35NO/c1-9-10-11-15(4,5)17-13-14(2,3)12-16(6,7)18-8/h17H,9-13H2,1-8H3
InChIKeyBMCFYRVFNDYHBJ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine (CID 146322548) is 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine is CCCCC(C)(C)NCC(C)(C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine?
The InChIKey is BMCFYRVFNDYHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-9-10-11-15(4,5)17-13-14(2,3)12-16(6,7)18-8/h17H,9-13H2,1-8H3.
What are the key properties of 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine?
4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,4-trimethyl-N-(2-methylhexan-2-yl)pentan-1-amine is sourced from PubChem (CID 146322548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).