1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine

C14H17BrN4 — CID 62246114

IUPAC1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1ccc(NN)nc1
InChIInChI=1S/C14H17BrN4/c1-19(9-11-2-5-13(15)6-3-11)10-12-4-7-14(18-16)17-8-12/h2-8H,9-10,16H2,1H3,(H,17,18)
InChIKeyHASMSHHTZAPKHS-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine

1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 62246114) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
PubChem CID62246114
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1ccc(NN)nc1
InChIInChI=1S/C14H17BrN4/c1-19(9-11-2-5-13(15)6-3-11)10-12-4-7-14(18-16)17-8-12/h2-8H,9-10,16H2,1H3,(H,17,18)
InChIKeyHASMSHHTZAPKHS-UHFFFAOYSA-N
XLogP2.76
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine (CID 62246114) is 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1ccc(Br)cc1)Cc1ccc(NN)nc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is HASMSHHTZAPKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-19(9-11-2-5-13(15)6-3-11)10-12-4-7-14(18-16)17-8-12/h2-8H,9-10,16H2,1H3,(H,17,18).
What are the key properties of 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine?
1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 62246114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).