5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine

C12H25NO — CID 116724549

IUPAC5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine
SMILESCNC(C=C(C)C)C(OC)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(2)8-10(13-6)11(14-7)12(3,4)5/h8,10-11,13H,1-7H3
InChIKeyZSRIERGXWJJZIR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds4

About 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine

5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine (PubChem CID 116724549) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine.

Molecular Properties

Compound Name5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine
PubChem CID116724549
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine
SMILESCNC(C=C(C)C)C(OC)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(2)8-10(13-6)11(14-7)12(3,4)5/h8,10-11,13H,1-7H3
InChIKeyZSRIERGXWJJZIR-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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

5-methoxy-N,2-dimethylhept-2-en-4-amine
CID 116715522
(4R)-4-methoxy-2,5,5-trimethylhex-2-ene
CID 135046024
2-methoxy-N,2,5-trimethylhex-4-en-3-amine
CID 79198368
1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine
CID 116772693
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
3-methoxy-N,2,2-trimethyloct-7-en-4-amine
CID 116724554
4-methoxy-2,5,5-trimethylhexan-3-ol
CID 116713037
N-ethyl-2-methoxy-5-methylhex-4-en-3-amine
CID 79616583
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
(4R)-2,4,5,5-tetramethylhex-2-ene
CID 172513214
1,3-dimethoxy-4,4-dimethylpentan-2-ol
CID 116713162
1-cyclopropyl-2-methoxy-3,3-dimethylbutan-1-ol
CID 116713007

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine?
The IUPAC name of 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine (CID 116724549) is 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine.
What is the SMILES notation for 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine?
The canonical SMILES for 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine is CNC(C=C(C)C)C(OC)C(C)(C)C.
What is the InChIKey of 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine?
The InChIKey is ZSRIERGXWJJZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)8-10(13-6)11(14-7)12(3,4)5/h8,10-11,13H,1-7H3.
What are the key properties of 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine?
5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine is sourced from PubChem (CID 116724549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).