4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine

C13H23N3O — CID 54956565

IUPAC4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
SMILESCC(C)CCOCCN(C)c1ccncc1N
InChIInChI=1S/C13H23N3O/c1-11(2)5-8-17-9-7-16(3)13-4-6-15-10-12(13)14/h4,6,10-11H,5,7-9,14H2,1-3H3
InChIKeyFTUGTYYJHUXOKD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.16
Rot. Bonds7

About 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine

4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine (PubChem CID 54956565) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
PubChem CID54956565
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
SMILESCC(C)CCOCCN(C)c1ccncc1N
InChIInChI=1S/C13H23N3O/c1-11(2)5-8-17-9-7-16(3)13-4-6-15-10-12(13)14/h4,6,10-11H,5,7-9,14H2,1-3H3
InChIKeyFTUGTYYJHUXOKD-UHFFFAOYSA-N
XLogP2.16
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.16
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

4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine
CID 62113145
4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
4-N-methyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-3,4-diamine
CID 103003367
3-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridin-4-amine
CID 81248237
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine (CID 54956565) is 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine is CC(C)CCOCCN(C)c1ccncc1N.
What is the InChIKey of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine?
The InChIKey is FTUGTYYJHUXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)5-8-17-9-7-16(3)13-4-6-15-10-12(13)14/h4,6,10-11H,5,7-9,14H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine?
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 54956565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).