2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine

C10H21NO — CID 102640586

IUPAC2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine
SMILESC=CC(C)(CNC)CC(C)OC
InChIInChI=1S/C10H21NO/c1-6-10(3,8-11-4)7-9(2)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyRZBIKBBEAWAUJF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds6

About 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine

2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine (PubChem CID 102640586) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine
PubChem CID102640586
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine
SMILESC=CC(C)(CNC)CC(C)OC
InChIInChI=1S/C10H21NO/c1-6-10(3,8-11-4)7-9(2)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyRZBIKBBEAWAUJF-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.82
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-Ethenyl-4-methoxy-2-methylpentan-1-amine
CID 102640409
2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640488
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640507
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518
2-(2-ethoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640527
2-ethenyl-5-methoxy-N,2-dimethylpentan-1-amine
CID 102640576
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640584
N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640592
N,2-dimethyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
CID 102640597
2-ethenyl-6-methoxy-N,2-dimethylhexan-1-amine
CID 102640614
N-ethyl-2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640661
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 102640744

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine (CID 102640586) is 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine is C=CC(C)(CNC)CC(C)OC.
What is the InChIKey of 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine?
The InChIKey is RZBIKBBEAWAUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-10(3,8-11-4)7-9(2)12-5/h6,9,11H,1,7-8H2,2-5H3.
What are the key properties of 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine?
2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methoxy-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 102640586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).