1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine

C19H38N2O — CID 89038965

IUPAC1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine
SMILESC=C/C(=C\[C@@H](CC)OCCC)CNCC(CC)CCC(C)N
InChIInChI=1S/C19H38N2O/c1-6-12-22-19(9-4)13-18(8-3)15-21-14-17(7-2)11-10-16(5)20/h8,13,16-17,19,21H,3,6-7,9-12,14-15,20H2,1-2,4-5H3/b18-13+/t16?,17?,19-/m1/s1
InChIKeyWOJLHUKVFZRXGM-OCWCCUNKSA-N
MW310.53 g/mol
LogP4.05
Rot. Bonds14

About 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine

1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine (PubChem CID 89038965) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine
PubChem CID89038965
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine
SMILESC=C/C(=C\[C@@H](CC)OCCC)CNCC(CC)CCC(C)N
InChIInChI=1S/C19H38N2O/c1-6-12-22-19(9-4)13-18(8-3)15-21-14-17(7-2)11-10-16(5)20/h8,13,16-17,19,21H,3,6-7,9-12,14-15,20H2,1-2,4-5H3/b18-13+/t16?,17?,19-/m1/s1
InChIKeyWOJLHUKVFZRXGM-OCWCCUNKSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine?
The IUPAC name of 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine (CID 89038965) is 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine.
What is the SMILES notation for 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine?
The canonical SMILES for 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine is C=C/C(=C\[C@@H](CC)OCCC)CNCC(CC)CCC(C)N.
What is the InChIKey of 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine?
The InChIKey is WOJLHUKVFZRXGM-OCWCCUNKSA-N. The full InChI is InChI=1S/C19H38N2O/c1-6-12-22-19(9-4)13-18(8-3)15-21-14-17(7-2)11-10-16(5)20/h8,13,16-17,19,21H,3,6-7,9-12,14-15,20H2,1-2,4-5H3/b18-13+/t16?,17?,19-/m1/s1.
What are the key properties of 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine?
1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine has a molecular weight of 310.53 g/mol, XLogP of 4.05, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E,4R)-2-ethenyl-4-propoxyhex-2-enyl]-2-ethylhexane-1,5-diamine is sourced from PubChem (CID 89038965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).