N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine

C13H27N5 — CID 105239262

IUPACN,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1ccn(C)n1)NN
InChIInChI=1S/C13H27N5/c1-6-18(7-2)13(3,4)12(15-14)10-11-8-9-17(5)16-11/h8-9,12,15H,6-7,10,14H2,1-5H3
InChIKeyGZMSQBQNIPEXIA-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds7

About N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine

N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine (PubChem CID 105239262) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
PubChem CID105239262
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC NameN,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1ccn(C)n1)NN
InChIInChI=1S/C13H27N5/c1-6-18(7-2)13(3,4)12(15-14)10-11-8-9-17(5)16-11/h8-9,12,15H,6-7,10,14H2,1-5H3
InChIKeyGZMSQBQNIPEXIA-UHFFFAOYSA-N
XLogP0.91
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-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,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105239181
[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105329655
[3-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105219619
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
N,N-diethyl-3-hydrazinyl-2-methyl-4-(4-propan-2-ylphenyl)butan-2-amine
CID 105239157
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810
N,N-diethyl-3-hydrazinyl-2-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105239377
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
[3-methoxy-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105270657
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine (CID 105239262) is N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine is CCN(CC)C(C)(C)C(Cc1ccn(C)n1)NN.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is GZMSQBQNIPEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-6-18(7-2)13(3,4)12(15-14)10-11-8-9-17(5)16-11/h8-9,12,15H,6-7,10,14H2,1-5H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine?
N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105239262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).