1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine

C10H26N4 — CID 88663322

IUPAC1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine
SMILESCCN(CCN(C)C)C(N)C(C)(C)N
InChIInChI=1S/C10H26N4/c1-6-14(8-7-13(4)5)9(11)10(2,3)12/h9H,6-8,11-12H2,1-5H3
InChIKeyPWMMPWRHGUKAGT-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.11
Rot. Bonds6

About 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine

1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine (PubChem CID 88663322) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine.

Molecular Properties

Compound Name1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine
PubChem CID88663322
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine
SMILESCCN(CCN(C)C)C(N)C(C)(C)N
InChIInChI=1S/C10H26N4/c1-6-14(8-7-13(4)5)9(11)10(2,3)12/h9H,6-8,11-12H2,1-5H3
InChIKeyPWMMPWRHGUKAGT-UHFFFAOYSA-N
XLogP-0.11
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine 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 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine?
The IUPAC name of 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine (CID 88663322) is 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine.
What is the SMILES notation for 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine?
The canonical SMILES for 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine is CCN(CCN(C)C)C(N)C(C)(C)N.
What is the InChIKey of 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine?
The InChIKey is PWMMPWRHGUKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-6-14(8-7-13(4)5)9(11)10(2,3)12/h9H,6-8,11-12H2,1-5H3.
What are the key properties of 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine?
1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine has a molecular weight of 202.35 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(dimethylamino)ethyl]-1-N'-ethyl-2-methylpropane-1,1,2-triamine is sourced from PubChem (CID 88663322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).