4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine

C15H33NO — CID 88903980

IUPAC4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine
SMILESCCCN(C)CCCC(CC)CCOC(C)C
InChIInChI=1S/C15H33NO/c1-6-11-16(5)12-8-9-15(7-2)10-13-17-14(3)4/h14-15H,6-13H2,1-5H3
InChIKeyBYHAHFGJHFXLOM-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.95
Rot. Bonds11

About 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine

4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine (PubChem CID 88903980) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine
PubChem CID88903980
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine
SMILESCCCN(C)CCCC(CC)CCOC(C)C
InChIInChI=1S/C15H33NO/c1-6-11-16(5)12-8-9-15(7-2)10-13-17-14(3)4/h14-15H,6-13H2,1-5H3
InChIKeyBYHAHFGJHFXLOM-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine (CID 88903980) is 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine is CCCN(C)CCCC(CC)CCOC(C)C.
What is the InChIKey of 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine?
The InChIKey is BYHAHFGJHFXLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-11-16(5)12-8-9-15(7-2)10-13-17-14(3)4/h14-15H,6-13H2,1-5H3.
What are the key properties of 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine?
4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine is sourced from PubChem (CID 88903980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).