3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide

C14H31N5 — CID 123370044

IUPAC3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide
SMILESCN(C)CCN(C)CC/C(N)=N\C1CCN(C)CC1
InChIInChI=1S/C14H31N5/c1-17(2)11-12-19(4)10-7-14(15)16-13-5-8-18(3)9-6-13/h13H,5-12H2,1-4H3,(H2,15,16)
InChIKeyPEZBKKHFQKMBAU-UHFFFAOYSA-N
MW269.44 g/mol
LogP0.32
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide

3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide (PubChem CID 123370044) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide
PubChem CID123370044
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide
SMILESCN(C)CCN(C)CC/C(N)=N\C1CCN(C)CC1
InChIInChI=1S/C14H31N5/c1-17(2)11-12-19(4)10-7-14(15)16-13-5-8-18(3)9-6-13/h13H,5-12H2,1-4H3,(H2,15,16)
InChIKeyPEZBKKHFQKMBAU-UHFFFAOYSA-N
XLogP0.32
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide 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 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide (CID 123370044) is 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide is CN(C)CCN(C)CC/C(N)=N\C1CCN(C)CC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide?
The InChIKey is PEZBKKHFQKMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-17(2)11-12-19(4)10-7-14(15)16-13-5-8-18(3)9-6-13/h13H,5-12H2,1-4H3,(H2,15,16).
What are the key properties of 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide?
3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide has a molecular weight of 269.44 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide is sourced from PubChem (CID 123370044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).