2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine

C12H25NO — CID 103028503

IUPAC2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(CC(C)(C)OC)NC
InChIInChI=1S/C12H25NO/c1-7-10(2)8-11(13-5)9-12(3,4)14-6/h11,13H,2,7-9H2,1,3-6H3
InChIKeyPBJGIKUYYLFHKJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds7

About 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine

2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine (PubChem CID 103028503) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
PubChem CID103028503
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(CC(C)(C)OC)NC
InChIInChI=1S/C12H25NO/c1-7-10(2)8-11(13-5)9-12(3,4)14-6/h11,13H,2,7-9H2,1,3-6H3
InChIKeyPBJGIKUYYLFHKJ-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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Related Compounds

N-methyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037813
1-methoxy-N-methyl-6-methylideneoctan-4-amine
CID 66038528
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-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044346
N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79179355
N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79196993
2-methoxy-N,2-dimethyloct-7-en-3-amine
CID 79197553
2-methoxy-N,2-dimethyl-5-methylideneheptan-3-amine
CID 79197678
2-methoxy-2-methyl-5-methylidene-N-propylheptan-3-amine
CID 79198171
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
The IUPAC name of 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine (CID 103028503) is 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
The canonical SMILES for 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine is C=C(CC)CC(CC(C)(C)OC)NC.
What is the InChIKey of 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
The InChIKey is PBJGIKUYYLFHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-10(2)8-11(13-5)9-12(3,4)14-6/h11,13H,2,7-9H2,1,3-6H3.
What are the key properties of 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine?
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-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 2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine is sourced from PubChem (CID 103028503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).