2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine

C11H23NO — CID 102640744

IUPAC2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOC)CNCC
InChIInChI=1S/C11H23NO/c1-5-11(3,10-12-6-2)8-7-9-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyGJPHIXBXHOEJLK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine

2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine (PubChem CID 102640744) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
PubChem CID102640744
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOC)CNCC
InChIInChI=1S/C11H23NO/c1-5-11(3,10-12-6-2)8-7-9-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyGJPHIXBXHOEJLK-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
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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Related Compounds

2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641092
N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 102641252
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641423
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
2-ethenyl-N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641758
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine
CID 139356793
N-(5-methoxypentyl)hex-5-en-1-amine
CID 153618215
5-pent-4-enoxy-N-propylpentan-1-amine
CID 79113143
N-ethyl-5-pent-4-enoxypentan-1-amine
CID 79113633

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine (CID 102640744) is 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine is C=CC(C)(CCCOC)CNCC.
What is the InChIKey of 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine?
The InChIKey is GJPHIXBXHOEJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(3,10-12-6-2)8-7-9-13-4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine?
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine is sourced from PubChem (CID 102640744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).