1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide

C12H26N4O2 — CID 136854400

IUPAC1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide
SMILESCCCCC/N=C(NO)/C(=N/CCCCC)NO
InChIInChI=1S/C12H26N4O2/c1-3-5-7-9-13-11(15-17)12(16-18)14-10-8-6-4-2/h17-18H,3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQWFPHNFOQCJDMK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.12
Rot. Bonds8

About 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide

1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide (PubChem CID 136854400) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide.

Molecular Properties

Compound Name1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide
PubChem CID136854400
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide
SMILESCCCCC/N=C(NO)/C(=N/CCCCC)NO
InChIInChI=1S/C12H26N4O2/c1-3-5-7-9-13-11(15-17)12(16-18)14-10-8-6-4-2/h17-18H,3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQWFPHNFOQCJDMK-UHFFFAOYSA-N
XLogP2.12
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide 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

(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
CID 137295692
methyl N-decylethanimidate
CID 51355250
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1,2,3-trihexylguanidine
CID 173050322
N'-pentylpropanimidamide
CID 62047571
1-ethyl-2-nonylguanidine
CID 111034740
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
N'-hexylpropanimidamide
CID 62048653
N,N'-dipentylpentanimidamide
CID 88678498

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide?
The IUPAC name of 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide (CID 136854400) is 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide.
What is the SMILES notation for 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide?
The canonical SMILES for 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide is CCCCC/N=C(NO)/C(=N/CCCCC)NO.
What is the InChIKey of 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide?
The InChIKey is QWFPHNFOQCJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-3-5-7-9-13-11(15-17)12(16-18)14-10-8-6-4-2/h17-18H,3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide?
1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide has a molecular weight of 258.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide is sourced from PubChem (CID 136854400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).