5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine

C16H35NO — CID 103036659

IUPAC5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
SMILESCOC(C)(C)CCC(CNCC(C)C)CC(C)C
InChIInChI=1S/C16H35NO/c1-13(2)10-15(12-17-11-14(3)4)8-9-16(5,6)18-7/h13-15,17H,8-12H2,1-7H3
InChIKeyDMLFICFNEPPTKO-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.10
Rot. Bonds10

About 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine

5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine (PubChem CID 103036659) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
PubChem CID103036659
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
SMILESCOC(C)(C)CCC(CNCC(C)C)CC(C)C
InChIInChI=1S/C16H35NO/c1-13(2)10-15(12-17-11-14(3)4)8-9-16(5,6)18-7/h13-15,17H,8-12H2,1-7H3
InChIKeyDMLFICFNEPPTKO-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The IUPAC name of 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine (CID 103036659) is 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine is COC(C)(C)CCC(CNCC(C)C)CC(C)C.
What is the InChIKey of 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
The InChIKey is DMLFICFNEPPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-13(2)10-15(12-17-11-14(3)4)8-9-16(5,6)18-7/h13-15,17H,8-12H2,1-7H3.
What are the key properties of 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine?
5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-N,2-bis(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 103036659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).