3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine

C14H28N2O — CID 87605996

IUPAC3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine
SMILESC=CC(CCN(C)C)OC(C=C)CCN(C)C
InChIInChI=1S/C14H28N2O/c1-7-13(9-11-15(3)4)17-14(8-2)10-12-16(5)6/h7-8,13-14H,1-2,9-12H2,3-6H3
InChIKeyWBRADXGOYVTFPV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds10

About 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine

3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine (PubChem CID 87605996) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine
PubChem CID87605996
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine
SMILESC=CC(CCN(C)C)OC(C=C)CCN(C)C
InChIInChI=1S/C14H28N2O/c1-7-13(9-11-15(3)4)17-14(8-2)10-12-16(5)6/h7-8,13-14H,1-2,9-12H2,3-6H3
InChIKeyWBRADXGOYVTFPV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-but-3-en-2-yloxypropyl)-N-(3-fluoropropyl)butan-1-amine
CID 166686147
2-[1-(dimethylamino)but-3-en-2-yloxy]-N,N-dimethylbut-3-en-1-amine
CID 23618072
N,N-dimethyl-3-[(3R,5E)-octa-1,5-dien-3-yl]oxypropan-1-amine
CID 89381339
3-[(3-methoxy-2,3-dihydroindigol-1-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 140972293
4-ethoxy-1-ethyl-3,4-dihydro-2H-pyridine
CID 143417435
1-but-3-en-2-yloxy-N,N-dimethylethanamine;ethane
CID 144075535
(3S)-3-methoxy-N,N-dimethylpent-4-en-1-amine
CID 156242999
(3R)-5-azido-3-butoxypent-1-ene
CID 173501246
4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine
CID 45087869
(4R)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine
CID 98078667
(4S)-4-ethoxy-1-methyl-3,4-dihydro-2H-pyridine
CID 98078668
1-but-3-en-2-yloxy-N,N-dimethylethanamine
CID 144075536

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine?
The IUPAC name of 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine (CID 87605996) is 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine.
What is the SMILES notation for 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine?
The canonical SMILES for 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine is C=CC(CCN(C)C)OC(C=C)CCN(C)C.
What is the InChIKey of 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine?
The InChIKey is WBRADXGOYVTFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-13(9-11-15(3)4)17-14(8-2)10-12-16(5)6/h7-8,13-14H,1-2,9-12H2,3-6H3.
What are the key properties of 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine?
3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)pent-1-en-3-yloxy]-N,N-dimethylpent-4-en-1-amine is sourced from PubChem (CID 87605996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).