diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium

C12H26N5O+ — CID 146715510

IUPACdiaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium
SMILESCN1CCN(C(=O)CCCCC[NH+]=C(N)N)CC1
InChIInChI=1S/C12H25N5O/c1-16-7-9-17(10-8-16)11(18)5-3-2-4-6-15-12(13)14/h2-10H2,1H3,(H4,13,14,15)/p+1
InChIKeyRDIHNRPGBIOFJJ-UHFFFAOYSA-O
MW256.37 g/mol
LogP-2.33
Rot. Bonds6

About diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium

diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium (PubChem CID 146715510) has the molecular formula C12H26N5O+ and a molecular weight of 256.37 g/mol. Its IUPAC name is diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium
PubChem CID146715510
Molecular FormulaC12H26N5O+
Molecular Weight256.37 g/mol
Exact Mass256.21
IUPAC Namediaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium
SMILESCN1CCN(C(=O)CCCCC[NH+]=C(N)N)CC1
InChIInChI=1S/C12H25N5O/c1-16-7-9-17(10-8-16)11(18)5-3-2-4-6-15-12(13)14/h2-10H2,1H3,(H4,13,14,15)/p+1
InChIKeyRDIHNRPGBIOFJJ-UHFFFAOYSA-O
XLogP-2.33
TPSA89.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

Analyze diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium 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

1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
7,7-dimethyl-1-(4-methylpiperazin-1-yl)octan-1-one
CID 138647099
6-(4-methyl-1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 43447207
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
CID 142630847
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium?
The IUPAC name of diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium (CID 146715510) is diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium.
What is the SMILES notation for diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium?
The canonical SMILES for diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium is CN1CCN(C(=O)CCCCC[NH+]=C(N)N)CC1.
What is the InChIKey of diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium?
The InChIKey is RDIHNRPGBIOFJJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25N5O/c1-16-7-9-17(10-8-16)11(18)5-3-2-4-6-15-12(13)14/h2-10H2,1H3,(H4,13,14,15)/p+1.
What are the key properties of diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium?
diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium has a molecular weight of 256.37 g/mol, XLogP of -2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]azanium is sourced from PubChem (CID 146715510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).