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

4,5-Dimethylpyridin-2-amine
CID 12404013
4-(Tetrahydropyran-4-YL)-pyridine
CID 292590
2-Amino-3,4-dimethylpyridine
CID 11007884
5-Ethyl-4-methyl-pyridin-2-ylamine
CID 15287360
(2-Aminopyridin-4-yl)methanol
CID 1515296
5-Tert-butylpyridin-2-amine
CID 20587962
3-(Propan-2-yl)pyridin-2-amine
CID 17962422
3-Ethyl-4-methylpyridin-2-amine
CID 9920741
5-Ethylpyridin-2-amine
CID 9812777
3-Propylpyridin-2-amine
CID 13344045
(Z)-5-[6-(methylamino)-3-pyridinyl]pent-4-en-1-ol
CID 49792505
4-Propylpyridin-2-amine
CID 7022594

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).