N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine

C12H25NO — CID 91538759

IUPACN-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine
SMILESCC=CC(C)(CC)OCCN(C)CC
InChIInChI=1S/C12H25NO/c1-6-9-12(4,7-2)14-11-10-13(5)8-3/h6,9H,7-8,10-11H2,1-5H3
InChIKeyDBRZKRJMJYFZQZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine

N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine (PubChem CID 91538759) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine
PubChem CID91538759
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine
SMILESCC=CC(C)(CC)OCCN(C)CC
InChIInChI=1S/C12H25NO/c1-6-9-12(4,7-2)14-11-10-13(5)8-3/h6,9H,7-8,10-11H2,1-5H3
InChIKeyDBRZKRJMJYFZQZ-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexa-1,5-dien-1-yloxy-N,N-diethylethanamine
CID 20156375
4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
CID 59434655
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 68902382
2-(4-ethenyl-4-ethoxycyclohexa-1,5-dien-1-yl)oxy-N,N-diethylethanamine
CID 68902982
4-[2-(5-Methylhex-2-enoxy)ethyl]morpholine
CID 72298043
Triethyl(2-methoxypent-3-enyl)azanium
CID 89008204
N,N-dimethyl-2-pent-3-en-2-yloxyethanamine
CID 124017904
4-[2-[(E)-hex-2-enoxy]ethyl]morpholine
CID 126724688
N,N-dimethyl-2-[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]oxyethanamine
CID 129059958
2-cyclohexa-1,5-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 142036077
2-cyclohexa-2,4-dien-1-yloxy-N-ethyl-N-methylethanamine
CID 143193252
N,N-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethanamine
CID 144107502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine (CID 91538759) is N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine is CC=CC(C)(CC)OCCN(C)CC.
What is the InChIKey of N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine?
The InChIKey is DBRZKRJMJYFZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-9-12(4,7-2)14-11-10-13(5)8-3/h6,9H,7-8,10-11H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine?
N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(3-methylhex-4-en-3-yloxy)ethanamine is sourced from PubChem (CID 91538759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).