(4-pyrrolidin-1-ylphenyl)methylhydrazine

C11H17N3 — CID 22728051

IUPAC(4-pyrrolidin-1-ylphenyl)methylhydrazine
SMILESNNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H17N3/c12-13-9-10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6,13H,1-2,7-9,12H2
InChIKeyQRESMONVTJIAHC-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.25
Rot. Bonds3

About (4-pyrrolidin-1-ylphenyl)methylhydrazine

(4-pyrrolidin-1-ylphenyl)methylhydrazine (PubChem CID 22728051) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylphenyl)methylhydrazine.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylphenyl)methylhydrazine
PubChem CID22728051
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(4-pyrrolidin-1-ylphenyl)methylhydrazine
SMILESNNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H17N3/c12-13-9-10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6,13H,1-2,7-9,12H2
InChIKeyQRESMONVTJIAHC-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-1-amine
CID 83007159
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 43755382
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 60864122

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylphenyl)methylhydrazine?
The IUPAC name of (4-pyrrolidin-1-ylphenyl)methylhydrazine (CID 22728051) is (4-pyrrolidin-1-ylphenyl)methylhydrazine.
What is the SMILES notation for (4-pyrrolidin-1-ylphenyl)methylhydrazine?
The canonical SMILES for (4-pyrrolidin-1-ylphenyl)methylhydrazine is NNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of (4-pyrrolidin-1-ylphenyl)methylhydrazine?
The InChIKey is QRESMONVTJIAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-13-9-10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6,13H,1-2,7-9,12H2.
What are the key properties of (4-pyrrolidin-1-ylphenyl)methylhydrazine?
(4-pyrrolidin-1-ylphenyl)methylhydrazine has a molecular weight of 191.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylphenyl)methylhydrazine is sourced from PubChem (CID 22728051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).