2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride

C11H22ClN5 — CID 20657823

IUPAC2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride
SMILES[H]/N=C(Cl)/C(=N\[H])N1CCN(CC(CC)NC)CC1
InChIInChI=1S/C11H22ClN5/c1-3-9(15-2)8-16-4-6-17(7-5-16)11(14)10(12)13/h9,13-15H,3-8H2,1-2H3/b13-10-,14-11+
InChIKeyKXBZEMLTLPOCNG-FXYWYECCSA-N
MW259.78 g/mol
LogP0.80
Rot. Bonds5

About 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride

2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride (PubChem CID 20657823) has the molecular formula C11H22ClN5 and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride.

Molecular Properties

Compound Name2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride
PubChem CID20657823
Molecular FormulaC11H22ClN5
Molecular Weight259.78 g/mol
Exact Mass259.16
IUPAC Name2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride
SMILES[H]/N=C(Cl)/C(=N\[H])N1CCN(CC(CC)NC)CC1
InChIInChI=1S/C11H22ClN5/c1-3-9(15-2)8-16-4-6-17(7-5-16)11(14)10(12)13/h9,13-15H,3-8H2,1-2H3/b13-10-,14-11+
InChIKeyKXBZEMLTLPOCNG-FXYWYECCSA-N
XLogP0.80
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 62039052
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
N-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 62997408
1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-imine
CID 63173686
2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 64797303
1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-2-amine
CID 64576855
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64827046
1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
CID 62042082
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
1-(4-butan-2-ylpiperazin-1-yl)ethanimine
CID 63173602

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride?
The IUPAC name of 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride (CID 20657823) is 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride.
What is the SMILES notation for 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride?
The canonical SMILES for 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride is [H]/N=C(Cl)/C(=N\[H])N1CCN(CC(CC)NC)CC1.
What is the InChIKey of 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride?
The InChIKey is KXBZEMLTLPOCNG-FXYWYECCSA-N. The full InChI is InChI=1S/C11H22ClN5/c1-3-9(15-2)8-16-4-6-17(7-5-16)11(14)10(12)13/h9,13-15H,3-8H2,1-2H3/b13-10-,14-11+.
What are the key properties of 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride?
2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride has a molecular weight of 259.78 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[4-[2-(methylamino)butyl]piperazin-1-yl]ethanimidoyl chloride is sourced from PubChem (CID 20657823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).