N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine

C12H22N4 — CID 62471546

IUPACN-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)Cc1ccnc(NN)c1
InChIInChI=1S/C12H22N4/c1-10(2)5-7-16(3)9-11-4-6-14-12(8-11)15-13/h4,6,8,10H,5,7,9,13H2,1-3H3,(H,14,15)
InChIKeyIVUCCHLTIGLVCO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine

N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 62471546) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID62471546
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)Cc1ccnc(NN)c1
InChIInChI=1S/C12H22N4/c1-10(2)5-7-16(3)9-11-4-6-14-12(8-11)15-13/h4,6,8,10H,5,7,9,13H2,1-3H3,(H,14,15)
InChIKeyIVUCCHLTIGLVCO-UHFFFAOYSA-N
XLogP1.85
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62469964
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine
CID 62470146
4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
CID 63881450
[4-(3-methylbutoxymethyl)-2-pyridinyl]hydrazine
CID 62465398
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 62470301
1-cyclobutyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylmethanamine
CID 62862233
N-[(2-chlorophenyl)methyl]-1-(2-hydrazinyl-4-pyridinyl)-N-methylmethanamine
CID 62471911
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
CID 55075749
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
CID 104739891
4-[[2-methoxyethyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62466112

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine (CID 62471546) is N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine is CC(C)CCN(C)Cc1ccnc(NN)c1.
What is the InChIKey of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is IVUCCHLTIGLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)5-7-16(3)9-11-4-6-14-12(8-11)15-13/h4,6,8,10H,5,7,9,13H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine?
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62471546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).