5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine

C12H24N2O — CID 87379528

IUPAC5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine
SMILESC=C(CCCCN)OC(=C)CCCCN
InChIInChI=1S/C12H24N2O/c1-11(7-3-5-9-13)15-12(2)8-4-6-10-14/h1-10,13-14H2
InChIKeyJXHWYNFJWMGZAK-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.29
Rot. Bonds10

About 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine

5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine (PubChem CID 87379528) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine.

Molecular Properties

Compound Name5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine
PubChem CID87379528
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine
SMILESC=C(CCCCN)OC(=C)CCCCN
InChIInChI=1S/C12H24N2O/c1-11(7-3-5-9-13)15-12(2)8-4-6-10-14/h1-10,13-14H2
InChIKeyJXHWYNFJWMGZAK-UHFFFAOYSA-N
XLogP2.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine?
The IUPAC name of 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine (CID 87379528) is 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine.
What is the SMILES notation for 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine?
The canonical SMILES for 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine is C=C(CCCCN)OC(=C)CCCCN.
What is the InChIKey of 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine?
The InChIKey is JXHWYNFJWMGZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(7-3-5-9-13)15-12(2)8-4-6-10-14/h1-10,13-14H2.
What are the key properties of 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine?
5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminohex-1-en-2-yloxy)hex-5-en-1-amine is sourced from PubChem (CID 87379528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).