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

C12H25NO — CID 102640688

IUPAC2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOCC)CNCC
InChIInChI=1S/C12H25NO/c1-5-12(4,11-13-6-2)9-8-10-14-7-3/h5,13H,1,6-11H2,2-4H3
InChIKeyOVQWEWKPWASRLE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

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

2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine (PubChem CID 102640688) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
PubChem CID102640688
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOCC)CNCC
InChIInChI=1S/C12H25NO/c1-5-12(4,11-13-6-2)9-8-10-14-7-3/h5,13H,1,6-11H2,2-4H3
InChIKeyOVQWEWKPWASRLE-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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-but-3-enoxy-N-ethylpentan-1-amine
CID 62443234
5-but-3-enoxy-N-propylpentan-1-amine
CID 62443235

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine (CID 102640688) is 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine is C=CC(C)(CCCOCC)CNCC.
What is the InChIKey of 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine?
The InChIKey is OVQWEWKPWASRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(4,11-13-6-2)9-8-10-14-7-3/h5,13H,1,6-11H2,2-4H3.
What are the key properties of 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine?
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 102640688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).