4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine

C13H23BrN4 — CID 105243945

IUPAC4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
SMILESCCN(CC)CCC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C13H23BrN4/c1-3-18(4-2)6-5-13(17-15)8-11-7-12(14)10-16-9-11/h7,9-10,13,17H,3-6,8,15H2,1-2H3
InChIKeyJLZFERIEKNGRLN-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.95
Rot. Bonds8

About 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine

4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine (PubChem CID 105243945) has the molecular formula C13H23BrN4 and a molecular weight of 315.26 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
PubChem CID105243945
Molecular FormulaC13H23BrN4
Molecular Weight315.26 g/mol
Exact Mass314.11
IUPAC Name4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
SMILESCCN(CC)CCC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C13H23BrN4/c1-3-18(4-2)6-5-13(17-15)8-11-7-12(14)10-16-9-11/h7,9-10,13,17H,3-6,8,15H2,1-2H3
InChIKeyJLZFERIEKNGRLN-UHFFFAOYSA-N
XLogP1.95
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.95
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'}

Analyze 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758
3-(5-bromo-3-pyridinyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244614
[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
CID 105334788
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105334822
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
N,N-diethyl-3-hydrazinyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 105244100
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239177
3-[4-(diethylamino)-2-hydrazinylbutyl]pyridin-4-amine
CID 105244246
[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105204924
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine (CID 105243945) is 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine is CCN(CC)CCC(Cc1cncc(Br)c1)NN.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The InChIKey is JLZFERIEKNGRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4/c1-3-18(4-2)6-5-13(17-15)8-11-7-12(14)10-16-9-11/h7,9-10,13,17H,3-6,8,15H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine has a molecular weight of 315.26 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine is sourced from PubChem (CID 105243945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).