7-(7-aminohept-1-enoxy)hept-6-en-1-amine

C14H28N2O — CID 56980902

IUPAC7-(7-aminohept-1-enoxy)hept-6-en-1-amine
SMILESNCCCCCC=COC=CCCCCCN
InChIInChI=1S/C14H28N2O/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h9-10,13-14H,1-8,11-12,15-16H2
InChIKeyXAZAZEIPJCBVHZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.07
Rot. Bonds12

About 7-(7-aminohept-1-enoxy)hept-6-en-1-amine

7-(7-aminohept-1-enoxy)hept-6-en-1-amine (PubChem CID 56980902) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 7-(7-aminohept-1-enoxy)hept-6-en-1-amine.

Molecular Properties

Compound Name7-(7-aminohept-1-enoxy)hept-6-en-1-amine
PubChem CID56980902
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name7-(7-aminohept-1-enoxy)hept-6-en-1-amine
SMILESNCCCCCC=COC=CCCCCCN
InChIInChI=1S/C14H28N2O/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h9-10,13-14H,1-8,11-12,15-16H2
InChIKeyXAZAZEIPJCBVHZ-UHFFFAOYSA-N
XLogP3.07
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.07
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 7-(7-aminohept-1-enoxy)hept-6-en-1-amine?
The IUPAC name of 7-(7-aminohept-1-enoxy)hept-6-en-1-amine (CID 56980902) is 7-(7-aminohept-1-enoxy)hept-6-en-1-amine.
What is the SMILES notation for 7-(7-aminohept-1-enoxy)hept-6-en-1-amine?
The canonical SMILES for 7-(7-aminohept-1-enoxy)hept-6-en-1-amine is NCCCCCC=COC=CCCCCCN.
What is the InChIKey of 7-(7-aminohept-1-enoxy)hept-6-en-1-amine?
The InChIKey is XAZAZEIPJCBVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h9-10,13-14H,1-8,11-12,15-16H2.
What are the key properties of 7-(7-aminohept-1-enoxy)hept-6-en-1-amine?
7-(7-aminohept-1-enoxy)hept-6-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-aminohept-1-enoxy)hept-6-en-1-amine is sourced from PubChem (CID 56980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).