3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine

C12H25NO — CID 166803882

IUPAC3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine
SMILESC=C(N)C(C)(CCOC)CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(13)12(5,7-8-14-6)9-11(2,3)4/h1,7-9,13H2,2-6H3
InChIKeyRURPFKNBLFZHNZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.94
Rot. Bonds5

About 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine

3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine (PubChem CID 166803882) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine
PubChem CID166803882
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine
SMILESC=C(N)C(C)(CCOC)CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(13)12(5,7-8-14-6)9-11(2,3)4/h1,7-9,13H2,2-6H3
InChIKeyRURPFKNBLFZHNZ-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
CID 87217040
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
1-methoxypropane;2,2,4,4-tetramethylpentane
CID 158896050
(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 137404264
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol
CID 71360956
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
4-(3,3-dimethylbutoxy)-2,2-dimethylbutanethioamide
CID 66234741
2,3,3,4,4-pentafluoro-6-methoxyhex-1-ene
CID 22897553
4-methoxy-N,2,2-trimethylbutanamide
CID 90785811

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine?
The IUPAC name of 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine (CID 166803882) is 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine?
The canonical SMILES for 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine is C=C(N)C(C)(CCOC)CC(C)(C)C.
What is the InChIKey of 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine?
The InChIKey is RURPFKNBLFZHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(13)12(5,7-8-14-6)9-11(2,3)4/h1,7-9,13H2,2-6H3.
What are the key properties of 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine?
3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3,5,5-trimethylhex-1-en-2-amine is sourced from PubChem (CID 166803882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).