5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine

C15H29NO — CID 114475869

IUPAC5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1CCCCO1)NCCC
InChIInChI=1S/C15H29NO/c1-4-10-16-14(9-8-13(2)3)12-15-7-5-6-11-17-15/h14-16H,2,4-12H2,1,3H3
InChIKeyGSSXPTGMSLVGNG-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds8

About 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine

5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine (PubChem CID 114475869) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
PubChem CID114475869
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1CCCCO1)NCCC
InChIInChI=1S/C15H29NO/c1-4-10-16-14(9-8-13(2)3)12-15-7-5-6-11-17-15/h14-16H,2,4-12H2,1,3H3
InChIKeyGSSXPTGMSLVGNG-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine?
The IUPAC name of 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine (CID 114475869) is 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine is C=C(C)CCC(CC1CCCCO1)NCCC.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine?
The InChIKey is GSSXPTGMSLVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-10-16-14(9-8-13(2)3)12-15-7-5-6-11-17-15/h14-16H,2,4-12H2,1,3H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine?
5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 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-2-yl)-N-propylhex-5-en-2-amine is sourced from PubChem (CID 114475869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).