5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine

C22H45NO — CID 156741428

IUPAC5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine
SMILESC=CC(CCC)(CCCCC)CC(CCN(CCC)CCC)OC
InChIInChI=1S/C22H45NO/c1-7-12-13-16-22(11-5,15-8-2)20-21(24-6)14-19-23(17-9-3)18-10-4/h11,21H,5,7-10,12-20H2,1-4,6H3
InChIKeyHPMNBDNETQAPBL-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.46
Rot. Bonds17

About 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine

5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine (PubChem CID 156741428) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine.

Molecular Properties

Compound Name5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine
PubChem CID156741428
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine
SMILESC=CC(CCC)(CCCCC)CC(CCN(CCC)CCC)OC
InChIInChI=1S/C22H45NO/c1-7-12-13-16-22(11-5,15-8-2)20-21(24-6)14-19-23(17-9-3)18-10-4/h11,21H,5,7-10,12-20H2,1-4,6H3
InChIKeyHPMNBDNETQAPBL-UHFFFAOYSA-N
XLogP6.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.46
H-Bond Donors ≤ 50
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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Related Compounds

(3-ethenyl-3-propylheptoxy)silane
CID 123652924
4-methoxynon-1-ene
CID 13284925
4-ethenyl-4,5-dimethoxytridecane
CID 158070390
4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine
CID 138616100
(5S)-5-methoxyundecane
CID 118889956
(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine
CID 134580034
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
3-[1-(diethylamino)icosan-3-yloxy]-N,N-diethylicosan-1-amine
CID 11600150
4,4-bis(ethenoxymethyl)hexadecane
CID 126727088
11-decyl-12-ethenyl-11-propyldocosane
CID 150010749

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine?
The IUPAC name of 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine (CID 156741428) is 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine.
What is the SMILES notation for 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine?
The canonical SMILES for 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine is C=CC(CCC)(CCCCC)CC(CCN(CCC)CCC)OC.
What is the InChIKey of 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine?
The InChIKey is HPMNBDNETQAPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-7-12-13-16-22(11-5,15-8-2)20-21(24-6)14-19-23(17-9-3)18-10-4/h11,21H,5,7-10,12-20H2,1-4,6H3.
What are the key properties of 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine?
5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine has a molecular weight of 339.61 g/mol, XLogP of 6.46, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methoxy-N,N,5-tripropyldecan-1-amine is sourced from PubChem (CID 156741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).