N'-[3-(diethylamino)propyl]-2-methylpropanimidamide

C11H25N3 — CID 3017529

IUPACN'-[3-(diethylamino)propyl]-2-methylpropanimidamide
SMILESCCN(CC)CCC/N=C(\N)C(C)C
InChIInChI=1S/C11H25N3/c1-5-14(6-2)9-7-8-13-11(12)10(3)4/h10H,5-9H2,1-4H3,(H2,12,13)
InChIKeyMMJGKTHXZSXHEQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.73
Rot. Bonds7

About N'-[3-(diethylamino)propyl]-2-methylpropanimidamide

N'-[3-(diethylamino)propyl]-2-methylpropanimidamide (PubChem CID 3017529) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]-2-methylpropanimidamide
PubChem CID3017529
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[3-(diethylamino)propyl]-2-methylpropanimidamide
SMILESCCN(CC)CCC/N=C(\N)C(C)C
InChIInChI=1S/C11H25N3/c1-5-14(6-2)9-7-8-13-11(12)10(3)4/h10H,5-9H2,1-4H3,(H2,12,13)
InChIKeyMMJGKTHXZSXHEQ-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 N'-[3-(diethylamino)propyl]-2-methylpropanimidamide 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 N'-[3-(diethylamino)propyl]-2-methylpropanimidamide?
The IUPAC name of N'-[3-(diethylamino)propyl]-2-methylpropanimidamide (CID 3017529) is N'-[3-(diethylamino)propyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[3-(diethylamino)propyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[3-(diethylamino)propyl]-2-methylpropanimidamide is CCN(CC)CCC/N=C(\N)C(C)C.
What is the InChIKey of N'-[3-(diethylamino)propyl]-2-methylpropanimidamide?
The InChIKey is MMJGKTHXZSXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-14(6-2)9-7-8-13-11(12)10(3)4/h10H,5-9H2,1-4H3,(H2,12,13).
What are the key properties of N'-[3-(diethylamino)propyl]-2-methylpropanimidamide?
N'-[3-(diethylamino)propyl]-2-methylpropanimidamide has a molecular weight of 199.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]-2-methylpropanimidamide is sourced from PubChem (CID 3017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).