2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine

C12H21N3O — CID 80823032

IUPAC2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine
SMILESCCNc1cccc(N(C)CCCOC)n1
InChIInChI=1S/C12H21N3O/c1-4-13-11-7-5-8-12(14-11)15(2)9-6-10-16-3/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14)
InChIKeyIHZVYOBVULCOQD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds7

About 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine

2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine (PubChem CID 80823032) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine
PubChem CID80823032
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine
SMILESCCNc1cccc(N(C)CCCOC)n1
InChIInChI=1S/C12H21N3O/c1-4-13-11-7-5-8-12(14-11)15(2)9-6-10-16-3/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14)
InChIKeyIHZVYOBVULCOQD-UHFFFAOYSA-N
XLogP1.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-6-N,6-N-bis(2-methoxyethyl)pyridine-2,6-diamine
CID 80796516
2-N-ethyl-6-N-methyl-6-N-(3,3,3-trifluoropropyl)pyridine-2,6-diamine
CID 80846784
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
2-N-ethyl-6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-2,6-diamine
CID 80824639
1-[[6-(ethylamino)-2-pyridinyl]-methylamino]propan-2-ol
CID 80827221
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
2-N-ethyl-6-N-methyl-6-N-phenylpyridine-2,6-diamine
CID 80767103
2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 115498330
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 82953078
N-ethyl-6-[2-(3-methoxypropoxy)ethoxy]pyridin-2-amine
CID 103176415
N-ethyl-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-2-amine
CID 79243744

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine (CID 80823032) is 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine is CCNc1cccc(N(C)CCCOC)n1.
What is the InChIKey of 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is IHZVYOBVULCOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-13-11-7-5-8-12(14-11)15(2)9-6-10-16-3/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14).
What are the key properties of 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine?
2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80823032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).