5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine

C12H24N2O — CID 22146191

IUPAC5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine
SMILESC=C(CC(N)CC)OC(=C)CC(N)CC
InChIInChI=1S/C12H24N2O/c1-5-11(13)7-9(3)15-10(4)8-12(14)6-2/h11-12H,3-8,13-14H2,1-2H3
InChIKeyLDTAEEXRJGFWPZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.29
Rot. Bonds8

About 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine

5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine (PubChem CID 22146191) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine.

Molecular Properties

Compound Name5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine
PubChem CID22146191
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine
SMILESC=C(CC(N)CC)OC(=C)CC(N)CC
InChIInChI=1S/C12H24N2O/c1-5-11(13)7-9(3)15-10(4)8-12(14)6-2/h11-12H,3-8,13-14H2,1-2H3
InChIKeyLDTAEEXRJGFWPZ-UHFFFAOYSA-N
XLogP2.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine 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 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine?
The IUPAC name of 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine (CID 22146191) is 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine.
What is the SMILES notation for 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine?
The canonical SMILES for 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine is C=C(CC(N)CC)OC(=C)CC(N)CC.
What is the InChIKey of 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine?
The InChIKey is LDTAEEXRJGFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-11(13)7-9(3)15-10(4)8-12(14)6-2/h11-12H,3-8,13-14H2,1-2H3.
What are the key properties of 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine?
5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine has a molecular weight of 212.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminohex-1-en-2-yloxy)hex-5-en-3-amine is sourced from PubChem (CID 22146191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).