4-pent-4-enoxypentan-1-amine

C10H21NO — CID 79114923

IUPAC4-pent-4-enoxypentan-1-amine
SMILESC=CCCCOC(C)CCCN
InChIInChI=1S/C10H21NO/c1-3-4-5-9-12-10(2)7-6-8-11/h3,10H,1,4-9,11H2,2H3
InChIKeyULHSAFKRYVKVHN-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds8

About 4-pent-4-enoxypentan-1-amine

4-pent-4-enoxypentan-1-amine (PubChem CID 79114923) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-pent-4-enoxypentan-1-amine.

Molecular Properties

Compound Name4-pent-4-enoxypentan-1-amine
PubChem CID79114923
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-pent-4-enoxypentan-1-amine
SMILESC=CCCCOC(C)CCCN
InChIInChI=1S/C10H21NO/c1-3-4-5-9-12-10(2)7-6-8-11/h3,10H,1,4-9,11H2,2H3
InChIKeyULHSAFKRYVKVHN-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pent-4-enoxypentan-1-amine?
The IUPAC name of 4-pent-4-enoxypentan-1-amine (CID 79114923) is 4-pent-4-enoxypentan-1-amine.
What is the SMILES notation for 4-pent-4-enoxypentan-1-amine?
The canonical SMILES for 4-pent-4-enoxypentan-1-amine is C=CCCCOC(C)CCCN.
What is the InChIKey of 4-pent-4-enoxypentan-1-amine?
The InChIKey is ULHSAFKRYVKVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-9-12-10(2)7-6-8-11/h3,10H,1,4-9,11H2,2H3.
What are the key properties of 4-pent-4-enoxypentan-1-amine?
4-pent-4-enoxypentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enoxypentan-1-amine is sourced from PubChem (CID 79114923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).