4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine

C12H20N2O — CID 106458123

IUPAC4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
SMILESCc1ccnc(N)c1CCOCC(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)8-15-7-5-11-10(3)4-6-14-12(11)13/h4,6,9H,5,7-8H2,1-3H3,(H2,13,14)
InChIKeyKKDWLIGQVKROKP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine

4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine (PubChem CID 106458123) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
PubChem CID106458123
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
SMILESCc1ccnc(N)c1CCOCC(C)C
InChIInChI=1S/C12H20N2O/c1-9(2)8-15-7-5-11-10(3)4-6-14-12(11)13/h4,6,9H,5,7-8H2,1-3H3,(H2,13,14)
InChIKeyKKDWLIGQVKROKP-UHFFFAOYSA-N
XLogP2.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458112
3-(2-amino-4-methyl-3-pyridinyl)propanal
CID 64522521
3-(3-amino-4-methylpentyl)-4-methylpyridin-2-amine
CID 64505107
1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol
CID 64515592
3-(3-bromo-2-methylpropyl)-4-methylpyridin-2-amine
CID 64671976
3-(2-tert-butylsulfonylethyl)-4-methylpyridin-2-amine
CID 106731736
3-[3-(cyclopropylamino)propyl]-4-methylpyridin-2-amine
CID 64505159
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
CID 106449319
4-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106446734
2-(2-methylpropoxy)ethyl 4-chloropyridine-2-carboxylate
CID 106450533
6-ethyl-5,7-dimethylisoquinolin-1-amine;2-methylbutane
CID 171089738
2-fluoro-4-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106447528

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine (CID 106458123) is 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine is Cc1ccnc(N)c1CCOCC(C)C.
What is the InChIKey of 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The InChIKey is KKDWLIGQVKROKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)8-15-7-5-11-10(3)4-6-14-12(11)13/h4,6,9H,5,7-8H2,1-3H3,(H2,13,14).
What are the key properties of 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine has a molecular weight of 208.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 106458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).