N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine

C13H27NO — CID 103028505

IUPACN-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(CC(C)(C)OC)NCC
InChIInChI=1S/C13H27NO/c1-7-11(3)9-12(14-8-2)10-13(4,5)15-6/h12,14H,3,7-10H2,1-2,4-6H3
InChIKeyYJSZZJROQAWXLX-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds8

About N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine

N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine (PubChem CID 103028505) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
PubChem CID103028505
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(CC(C)(C)OC)NCC
InChIInChI=1S/C13H27NO/c1-7-11(3)9-12(14-8-2)10-13(4,5)15-6/h12,14H,3,7-10H2,1-2,4-6H3
InChIKeyYJSZZJROQAWXLX-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-ethyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037814
3-methylidene-1-(oxolan-3-yl)-N-propylpentan-1-amine
CID 66038048
N-ethyl-1-methoxy-6-methylideneoctan-4-amine
CID 66038761
1-methoxy-6-methylidene-N-propyloctan-4-amine
CID 66038762
1-methoxy-N-methyl-5-methylideneheptan-3-amine
CID 66038979
N-ethyl-1-methoxy-5-methylideneheptan-3-amine
CID 66038980
1-methoxy-5-methylidene-N-propylheptan-3-amine
CID 66038981
N-ethyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044347
4-methylidene-1-(oxolan-2-yl)-N-propylhexan-2-amine
CID 66044348
N-ethyl-4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79178931
4-methyl-1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 79178932

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine (CID 103028505) is N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine is C=C(CC)CC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine?
The InChIKey is YJSZZJROQAWXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-11(3)9-12(14-8-2)10-13(4,5)15-6/h12,14H,3,7-10H2,1-2,4-6H3.
What are the key properties of N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine?
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 8 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-6-methylideneoctan-4-amine is sourced from PubChem (CID 103028505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).