4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine

C14H28N2O — CID 87745807

IUPAC4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine
SMILESC=C(CCCN(C)C)OC(=C)CCCN(C)C
InChIInChI=1S/C14H28N2O/c1-13(9-7-11-15(3)4)17-14(2)10-8-12-16(5)6/h1-2,7-12H2,3-6H3
InChIKeyMRXHMANGPSYUCL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.71
Rot. Bonds10

About 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine

4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine (PubChem CID 87745807) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine
PubChem CID87745807
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine
SMILESC=C(CCCN(C)C)OC(=C)CCCN(C)C
InChIInChI=1S/C14H28N2O/c1-13(9-7-11-15(3)4)17-14(2)10-8-12-16(5)6/h1-2,7-12H2,3-6H3
InChIKeyMRXHMANGPSYUCL-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine?
The IUPAC name of 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine (CID 87745807) is 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine.
What is the SMILES notation for 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine?
The canonical SMILES for 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine is C=C(CCCN(C)C)OC(=C)CCCN(C)C.
What is the InChIKey of 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine?
The InChIKey is MRXHMANGPSYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(9-7-11-15(3)4)17-14(2)10-8-12-16(5)6/h1-2,7-12H2,3-6H3.
What are the key properties of 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine?
4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine is sourced from PubChem (CID 87745807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).