N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine

C14H25ClN4 — CID 55127834

IUPACN-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C14H25ClN4/c1-3-5-9-19(10-6-4-2)11-13-12(15)7-8-14(17-13)18-16/h7-8H,3-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyXRMQBLQNHNTNSP-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.42
Rot. Bonds9

About N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine

N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine (PubChem CID 55127834) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine
PubChem CID55127834
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC NameN-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C14H25ClN4/c1-3-5-9-19(10-6-4-2)11-13-12(15)7-8-14(17-13)18-16/h7-8H,3-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyXRMQBLQNHNTNSP-UHFFFAOYSA-N
XLogP3.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.42
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 N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine (CID 55127834) is N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine is CCCCN(CCCC)Cc1nc(NN)ccc1Cl.
What is the InChIKey of N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine?
The InChIKey is XRMQBLQNHNTNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-3-5-9-19(10-6-4-2)11-13-12(15)7-8-14(17-13)18-16/h7-8H,3-6,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine?
N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine has a molecular weight of 284.83 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 55127834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).