2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine

C10H20N2O — CID 87195393

IUPAC2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine
SMILESC=C(OC(=C)C(N)CC)C(N)CC
InChIInChI=1S/C10H20N2O/c1-5-9(11)7(3)13-8(4)10(12)6-2/h9-10H,3-6,11-12H2,1-2H3
InChIKeyVMROEIBVFIINCN-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.50
Rot. Bonds6

About 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine

2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine (PubChem CID 87195393) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine.

Molecular Properties

Compound Name2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine
PubChem CID87195393
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine
SMILESC=C(OC(=C)C(N)CC)C(N)CC
InChIInChI=1S/C10H20N2O/c1-5-9(11)7(3)13-8(4)10(12)6-2/h9-10H,3-6,11-12H2,1-2H3
InChIKeyVMROEIBVFIINCN-UHFFFAOYSA-N
XLogP1.50
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine?
The IUPAC name of 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine (CID 87195393) is 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine.
What is the SMILES notation for 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine?
The canonical SMILES for 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine is C=C(OC(=C)C(N)CC)C(N)CC.
What is the InChIKey of 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine?
The InChIKey is VMROEIBVFIINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(11)7(3)13-8(4)10(12)6-2/h9-10H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine?
2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine has a molecular weight of 184.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopent-1-en-2-yloxy)pent-1-en-3-amine is sourced from PubChem (CID 87195393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).