6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine

C19H39N3O — CID 154643703

IUPAC6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine
SMILESC=C(CCCC(=C)NCCOCCNC)NCCCCC(C)C
InChIInChI=1S/C19H39N3O/c1-17(2)9-6-7-12-21-18(3)10-8-11-19(4)22-14-16-23-15-13-20-5/h17,20-22H,3-4,6-16H2,1-2,5H3
InChIKeyJPVRVBSDLIJXDT-UHFFFAOYSA-N
MW325.54 g/mol
LogP3.43
Rot. Bonds17

About 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine

6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine (PubChem CID 154643703) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine
PubChem CID154643703
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine
SMILESC=C(CCCC(=C)NCCOCCNC)NCCCCC(C)C
InChIInChI=1S/C19H39N3O/c1-17(2)9-6-7-12-21-18(3)10-8-11-19(4)22-14-16-23-15-13-20-5/h17,20-22H,3-4,6-16H2,1-2,5H3
InChIKeyJPVRVBSDLIJXDT-UHFFFAOYSA-N
XLogP3.43
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine?
The IUPAC name of 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine (CID 154643703) is 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine.
What is the SMILES notation for 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine?
The canonical SMILES for 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine is C=C(CCCC(=C)NCCOCCNC)NCCCCC(C)C.
What is the InChIKey of 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine?
The InChIKey is JPVRVBSDLIJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O/c1-17(2)9-6-7-12-21-18(3)10-8-11-19(4)22-14-16-23-15-13-20-5/h17,20-22H,3-4,6-16H2,1-2,5H3.
What are the key properties of 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine?
6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine has a molecular weight of 325.54 g/mol, XLogP of 3.43, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine is sourced from PubChem (CID 154643703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).