N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine

C12H25NO — CID 79196993

IUPACN-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(NCC)C(C)(C)OC
InChIInChI=1S/C12H25NO/c1-7-10(3)9-11(13-8-2)12(4,5)14-6/h11,13H,3,7-9H2,1-2,4-6H3
InChIKeyMCJXKRJWXLFEDG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds7

About N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine

N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine (PubChem CID 79196993) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
PubChem CID79196993
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(NCC)C(C)(C)OC
InChIInChI=1S/C12H25NO/c1-7-10(3)9-11(13-8-2)12(4,5)14-6/h11,13H,3,7-9H2,1-2,4-6H3
InChIKeyMCJXKRJWXLFEDG-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine (CID 79196993) is N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine is C=C(CC)CC(NCC)C(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine?
The InChIKey is MCJXKRJWXLFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-10(3)9-11(13-8-2)12(4,5)14-6/h11,13H,3,7-9H2,1-2,4-6H3.
What are the key properties of N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine?
N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine is sourced from PubChem (CID 79196993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).