N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine

C12H20N2O2 — CID 79492661

IUPACN-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
SMILESCCNC(Cc1ccccn1)C(OC)OC
InChIInChI=1S/C12H20N2O2/c1-4-13-11(12(15-2)16-3)9-10-7-5-6-8-14-10/h5-8,11-13H,4,9H2,1-3H3
InChIKeyZWRPLVXYAHXKOQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.22
Rot. Bonds7

About N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine

N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine (PubChem CID 79492661) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
PubChem CID79492661
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
SMILESCCNC(Cc1ccccn1)C(OC)OC
InChIInChI=1S/C12H20N2O2/c1-4-13-11(12(15-2)16-3)9-10-7-5-6-8-14-10/h5-8,11-13H,4,9H2,1-3H3
InChIKeyZWRPLVXYAHXKOQ-UHFFFAOYSA-N
XLogP1.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methylsulfonyl-1-pyridin-2-ylbutan-2-amine
CID 104520130
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
1-methoxy-N-methyl-1-phenyl-3-pyridin-2-ylpropan-2-amine
CID 116772512
N-ethyl-1-(2-methoxyethoxy)-3-pyridin-2-ylpropan-2-amine
CID 114032870
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
3-phenyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 104995300
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine (CID 79492661) is N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine is CCNC(Cc1ccccn1)C(OC)OC.
What is the InChIKey of N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine?
The InChIKey is ZWRPLVXYAHXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-13-11(12(15-2)16-3)9-10-7-5-6-8-14-10/h5-8,11-13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine?
N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine has a molecular weight of 224.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 79492661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).