2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine

C11H23NO — CID 102640752

IUPAC2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CNCC)CC(C)OC
InChIInChI=1S/C11H23NO/c1-6-11(4,9-12-7-2)8-10(3)13-5/h6,10,12H,1,7-9H2,2-5H3
InChIKeyJVOMUAYAJWOPET-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine

2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine (PubChem CID 102640752) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine
PubChem CID102640752
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CNCC)CC(C)OC
InChIInChI=1S/C11H23NO/c1-6-11(4,9-12-7-2)8-10(3)13-5/h6,10,12H,1,7-9H2,2-5H3
InChIKeyJVOMUAYAJWOPET-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-4-prop-2-enylpiperidine
CID 59312077
N-ethyl-4-pent-4-enoxypentan-1-amine
CID 79113610
N-tert-butyl-4-pent-4-enoxypentan-1-amine
CID 79114760
N-(2-methylpropyl)-4-pent-4-enoxypentan-1-amine
CID 79114916
4-pent-4-enoxy-N-propylpentan-1-amine
CID 79114922
2-Ethenyl-4-methoxy-2-methylpentan-1-amine
CID 102640409
2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640488
2-ethenyl-5-methoxy-N,2-dimethylpentan-1-amine
CID 102640576
2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine
CID 102640586
N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640592
N-ethyl-2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640661
2-(2-butoxyethyl)-N-ethyl-2-methylbut-3-en-1-amine
CID 102640678

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine (CID 102640752) is 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine is C=CC(C)(CNCC)CC(C)OC.
What is the InChIKey of 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine?
The InChIKey is JVOMUAYAJWOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-11(4,9-12-7-2)8-10(3)13-5/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine?
2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine is sourced from PubChem (CID 102640752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).