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

C15H31N5 — CID 105239181

IUPACN,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1ccn(C(C)C)n1)NN
InChIInChI=1S/C15H31N5/c1-7-19(8-2)15(5,6)14(17-16)11-13-9-10-20(18-13)12(3)4/h9-10,12,14,17H,7-8,11,16H2,1-6H3
InChIKeyLFMQGUXCHCKOFQ-UHFFFAOYSA-N
MW281.45 g/mol
LogP1.96
Rot. Bonds8

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

N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 105239181) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID105239181
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC NameN,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCN(CC)C(C)(C)C(Cc1ccn(C(C)C)n1)NN
InChIInChI=1S/C15H31N5/c1-7-19(8-2)15(5,6)14(17-16)11-13-9-10-20(18-13)12(3)4/h9-10,12,14,17H,7-8,11,16H2,1-6H3
InChIKeyLFMQGUXCHCKOFQ-UHFFFAOYSA-N
XLogP1.96
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.96
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'}

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Related Compounds

N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
CID 105239262
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810
[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
CID 105216281
3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79198374
N,N-diethyl-3-hydrazinyl-2-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105239377
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
N,N-diethyl-3-hydrazinyl-2-methyl-4-(4-propan-2-ylphenyl)butan-2-amine
CID 105239157
3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116757473
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
[1-(3,4-difluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105312820
N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 105239298
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 105239181) is N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CCN(CC)C(C)(C)C(Cc1ccn(C(C)C)n1)NN.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is LFMQGUXCHCKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-7-19(8-2)15(5,6)14(17-16)11-13-9-10-20(18-13)12(3)4/h9-10,12,14,17H,7-8,11,16H2,1-6H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 281.45 g/mol, XLogP of 1.96, 8 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-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105239181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).