4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine

C12H20N2O2 — CID 106667203

IUPAC4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
SMILESCOC(C)(C)CCOCc1ccnc(N)c1
InChIInChI=1S/C12H20N2O2/c1-12(2,15-3)5-7-16-9-10-4-6-14-11(13)8-10/h4,6,8H,5,7,9H2,1-3H3,(H2,13,14)
InChIKeyMHAVHDHSOPKUSH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.00
Rot. Bonds6

About 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine

4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine (PubChem CID 106667203) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
PubChem CID106667203
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
SMILESCOC(C)(C)CCOCc1ccnc(N)c1
InChIInChI=1S/C12H20N2O2/c1-12(2,15-3)5-7-16-9-10-4-6-14-11(13)8-10/h4,6,8H,5,7,9H2,1-3H3,(H2,13,14)
InChIKeyMHAVHDHSOPKUSH-UHFFFAOYSA-N
XLogP2.00
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-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-(2-propoxyethoxymethyl)pyridin-2-amine
CID 63684235
4-(heptoxymethyl)pyridin-2-amine
CID 62465689
4-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62465833
4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine
CID 171796381
2-chloro-4-(3,3-dimethylbutoxymethyl)pyridine
CID 66231568
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794
3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
CID 106668386
4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
CID 62465468
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
4-[(2,6-dimethoxyphenoxy)methyl]pyridin-2-amine
CID 62464577

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine (CID 106667203) is 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine is COC(C)(C)CCOCc1ccnc(N)c1.
What is the InChIKey of 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine?
The InChIKey is MHAVHDHSOPKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,15-3)5-7-16-9-10-4-6-14-11(13)8-10/h4,6,8H,5,7,9H2,1-3H3,(H2,13,14).
What are the key properties of 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine?
4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 106667203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).