2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine

C9H15N3O — CID 131097140

IUPAC2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine
SMILESCCON(C)c1cc(C)c(N)cn1
InChIInChI=1S/C9H15N3O/c1-4-13-12(3)9-5-7(2)8(10)6-11-9/h5-6H,4,10H2,1-3H3
InChIKeyDQXABVLNRVVRSX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.36
Rot. Bonds3

About 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine

2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 131097140) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID131097140
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine
SMILESCCON(C)c1cc(C)c(N)cn1
InChIInChI=1S/C9H15N3O/c1-4-13-12(3)9-5-7(2)8(10)6-11-9/h5-6H,4,10H2,1-3H3
InChIKeyDQXABVLNRVVRSX-UHFFFAOYSA-N
XLogP1.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,4-trimethylpyridine-2,5-diamine;trihydrochloride
CID 129319878
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
N-ethoxy-N,5,6-trimethylpyridazin-3-amine
CID 130653918
2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
CID 115147336
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176501
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79173042
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590
2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-methylpyridine-2,5-diamine
CID 79175638
2-N,4-dimethyl-2-N-(3-phenylpropyl)pyridine-2,5-diamine
CID 79173631
2-N-(cyclopentylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176906

Frequently Asked Questions

What is the IUPAC name of 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine (CID 131097140) is 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine is CCON(C)c1cc(C)c(N)cn1.
What is the InChIKey of 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is DQXABVLNRVVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-13-12(3)9-5-7(2)8(10)6-11-9/h5-6H,4,10H2,1-3H3.
What are the key properties of 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine?
2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 131097140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).