5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine

C15H31NO — CID 62604849

IUPAC5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)CC1CCOCC1
InChIInChI=1S/C15H31NO/c1-4-9-16-15(6-5-13(2)3)12-14-7-10-17-11-8-14/h13-16H,4-12H2,1-3H3
InChIKeyVDFWYQMTXTWMCJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine

5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine (PubChem CID 62604849) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine
PubChem CID62604849
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)CC1CCOCC1
InChIInChI=1S/C15H31NO/c1-4-9-16-15(6-5-13(2)3)12-14-7-10-17-11-8-14/h13-16H,4-12H2,1-3H3
InChIKeyVDFWYQMTXTWMCJ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine?
The IUPAC name of 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine (CID 62604849) is 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine?
The canonical SMILES for 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine is CCCNC(CCC(C)C)CC1CCOCC1.
What is the InChIKey of 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine?
The InChIKey is VDFWYQMTXTWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-9-16-15(6-5-13(2)3)12-14-7-10-17-11-8-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine?
5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 62604849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).