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

C9H19NO — CID 102640409

IUPAC2-ethenyl-4-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CC(C)OC
InChIInChI=1S/C9H19NO/c1-5-9(3,7-10)6-8(2)11-4/h5,8H,1,6-7,10H2,2-4H3
InChIKeyZBAFIGBMRSVTHK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds5

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

2-ethenyl-4-methoxy-2-methylpentan-1-amine (PubChem CID 102640409) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethenyl-4-methoxy-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-4-methoxy-2-methylpentan-1-amine
PubChem CID102640409
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethenyl-4-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CC(C)OC
InChIInChI=1S/C9H19NO/c1-5-9(3,7-10)6-8(2)11-4/h5,8H,1,6-7,10H2,2-4H3
InChIKeyZBAFIGBMRSVTHK-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
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

2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-Ethenyl-5-methoxy-2-methylpentan-1-amine
CID 102640398
2-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640407
2-Methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
2-Methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
CID 102640421
2-Ethenyl-6-methoxy-2-methylhexan-1-amine
CID 102640436
2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine
CID 102640586
2-ethenyl-N-ethyl-4-methoxy-2-methylpentan-1-amine
CID 102640752

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methoxy-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-4-methoxy-2-methylpentan-1-amine (CID 102640409) is 2-ethenyl-4-methoxy-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-4-methoxy-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-4-methoxy-2-methylpentan-1-amine is C=CC(C)(CN)CC(C)OC.
What is the InChIKey of 2-ethenyl-4-methoxy-2-methylpentan-1-amine?
The InChIKey is ZBAFIGBMRSVTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(3,7-10)6-8(2)11-4/h5,8H,1,6-7,10H2,2-4H3.
What are the key properties of 2-ethenyl-4-methoxy-2-methylpentan-1-amine?
2-ethenyl-4-methoxy-2-methylpentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methoxy-2-methylpentan-1-amine is sourced from PubChem (CID 102640409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).