[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

C15H23Cl2N3 — CID 105239714

IUPAC[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1cc(Cl)ccc1Cl)NN)N1CCCC1
InChIInChI=1S/C15H23Cl2N3/c1-15(2,20-7-3-4-8-20)14(19-18)10-11-9-12(16)5-6-13(11)17/h5-6,9,14,19H,3-4,7-8,10,18H2,1-2H3
InChIKeyVJUKMJPKNXBNSY-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.24
Rot. Bonds5

About [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (PubChem CID 105239714) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
PubChem CID105239714
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(Cc1cc(Cl)ccc1Cl)NN)N1CCCC1
InChIInChI=1S/C15H23Cl2N3/c1-15(2,20-7-3-4-8-20)14(19-18)10-11-9-12(16)5-6-13(11)17/h5-6,9,14,19H,3-4,7-8,10,18H2,1-2H3
InChIKeyVJUKMJPKNXBNSY-UHFFFAOYSA-N
XLogP3.24
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
[1-(2,5-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105309938
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239692
[1-(5-fluoro-2-methylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105377853
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
[1-(furan-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239574
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 106271041

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (CID 105239714) is [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is CC(C)(C(Cc1cc(Cl)ccc1Cl)NN)N1CCCC1.
What is the InChIKey of [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is VJUKMJPKNXBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-15(2,20-7-3-4-8-20)14(19-18)10-11-9-12(16)5-6-13(11)17/h5-6,9,14,19H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 316.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105239714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).