N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine

C12H25NO — CID 103028497

IUPACN-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)CC(C)(C)OC
InChIInChI=1S/C12H25NO/c1-7-13-11(8-10(2)3)9-12(4,5)14-6/h8,11,13H,7,9H2,1-6H3
InChIKeyQGVOELUVARWMKN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds6

About N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine

N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine (PubChem CID 103028497) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine
PubChem CID103028497
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)CC(C)(C)OC
InChIInChI=1S/C12H25NO/c1-7-13-11(8-10(2)3)9-12(4,5)14-6/h8,11,13H,7,9H2,1-6H3
InChIKeyQGVOELUVARWMKN-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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

N-butyl-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
CID 173413382
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
CID 43146954
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
N-ethyl-7-methoxy-2-methylhept-2-en-4-amine
CID 79177731
7-methoxy-2-methyl-N-propylhept-2-en-4-amine
CID 79177953
1-methoxy-N,5-dimethylhex-4-en-3-amine
CID 79190408
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
1-methoxy-5-methyl-N-propylhex-4-en-3-amine
CID 79190626
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine?
The IUPAC name of N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine (CID 103028497) is N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine?
The canonical SMILES for N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine is CCNC(C=C(C)C)CC(C)(C)OC.
What is the InChIKey of N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine?
The InChIKey is QGVOELUVARWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-13-11(8-10(2)3)9-12(4,5)14-6/h8,11,13H,7,9H2,1-6H3.
What are the key properties of N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine?
N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2,6-dimethylhept-2-en-4-amine is sourced from PubChem (CID 103028497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).