4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

C12H23N3O — CID 103012385

IUPAC4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCC(C)(OC)C(N)CCc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-12(2,16-4)11(13)7-6-10-8-14-15(3)9-10/h8-9,11H,5-7,13H2,1-4H3
InChIKeyOEDKVZOYWNTBSF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.50
Rot. Bonds6

About 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 103012385) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
PubChem CID103012385
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCC(C)(OC)C(N)CCc1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-12(2,16-4)11(13)7-6-10-8-14-15(3)9-10/h8-9,11H,5-7,13H2,1-4H3
InChIKeyOEDKVZOYWNTBSF-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-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-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
CID 103011088
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
[4-ethoxy-4-ethyl-1-(1-methylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 103027107
4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
CID 103012413
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
5,6,6-trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103029608
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381
5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-amine
CID 103030099
3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103007100

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (CID 103012385) is 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is CCC(C)(OC)C(N)CCc1cnn(C)c1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The InChIKey is OEDKVZOYWNTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(2,16-4)11(13)7-6-10-8-14-15(3)9-10/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 103012385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).