diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium

C14H30N5O+ — CID 153457242

IUPACdiaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium
SMILESCCC1CCN(CCC(=O)NCCC[NH+]=C(N)N)CC1
InChIInChI=1S/C14H29N5O/c1-2-12-4-9-19(10-5-12)11-6-13(20)17-7-3-8-18-14(15)16/h12H,2-11H2,1H3,(H,17,20)(H4,15,16,18)/p+1
InChIKeyFZPVEEIPGBCPME-UHFFFAOYSA-O
MW284.43 g/mol
LogP-1.64
Rot. Bonds8

About diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium

diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium (PubChem CID 153457242) has the molecular formula C14H30N5O+ and a molecular weight of 284.43 g/mol. Its IUPAC name is diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium
PubChem CID153457242
Molecular FormulaC14H30N5O+
Molecular Weight284.43 g/mol
Exact Mass284.24
IUPAC Namediaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium
SMILESCCC1CCN(CCC(=O)NCCC[NH+]=C(N)N)CC1
InChIInChI=1S/C14H29N5O/c1-2-12-4-9-19(10-5-12)11-6-13(20)17-7-3-8-18-14(15)16/h12H,2-11H2,1H3,(H,17,20)(H4,15,16,18)/p+1
InChIKeyFZPVEEIPGBCPME-UHFFFAOYSA-O
XLogP-1.64
TPSA98.35 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
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-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium 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 diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium?
The IUPAC name of diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium (CID 153457242) is diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium.
What is the SMILES notation for diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium?
The canonical SMILES for diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium is CCC1CCN(CCC(=O)NCCC[NH+]=C(N)N)CC1.
What is the InChIKey of diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium?
The InChIKey is FZPVEEIPGBCPME-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H29N5O/c1-2-12-4-9-19(10-5-12)11-6-13(20)17-7-3-8-18-14(15)16/h12H,2-11H2,1H3,(H,17,20)(H4,15,16,18)/p+1.
What are the key properties of diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium?
diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium has a molecular weight of 284.43 g/mol, XLogP of -1.64, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium is sourced from PubChem (CID 153457242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).