N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine

C15H33N3O2S — CID 105239337

IUPACN,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine
SMILESCCN(CC)C(C)(C)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H33N3O2S/c1-6-18(7-2)15(3,4)14(17-16)12-9-8-10-13(11-12)21(5,19)20/h12-14,17H,6-11,16H2,1-5H3
InChIKeyKTRJTXKHCFUKQU-UHFFFAOYSA-N
MW319.52 g/mol
LogP1.54
Rot. Bonds7

About N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine

N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine (PubChem CID 105239337) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine
PubChem CID105239337
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC NameN,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine
SMILESCCN(CC)C(C)(C)C(NN)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H33N3O2S/c1-6-18(7-2)15(3,4)14(17-16)12-9-8-10-13(11-12)21(5,19)20/h12-14,17H,6-11,16H2,1-5H3
InChIKeyKTRJTXKHCFUKQU-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine?
The IUPAC name of N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine (CID 105239337) is N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine.
What is the SMILES notation for N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine?
The canonical SMILES for N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine is CCN(CC)C(C)(C)C(NN)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine?
The InChIKey is KTRJTXKHCFUKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-6-18(7-2)15(3,4)14(17-16)12-9-8-10-13(11-12)21(5,19)20/h12-14,17H,6-11,16H2,1-5H3.
What are the key properties of N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine?
N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine has a molecular weight of 319.52 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine is sourced from PubChem (CID 105239337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).