N'-[3-(dimethylamino)propyl]propanimidamide

C8H19N3 — CID 3014537

IUPACN'-[3-(dimethylamino)propyl]propanimidamide
SMILESCC/C(N)=N\CCCN(C)C
InChIInChI=1S/C8H19N3/c1-4-8(9)10-6-5-7-11(2)3/h4-7H2,1-3H3,(H2,9,10)
InChIKeyOHHGZZZDNFJMPR-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.71
Rot. Bonds5

About N'-[3-(dimethylamino)propyl]propanimidamide

N'-[3-(dimethylamino)propyl]propanimidamide (PubChem CID 3014537) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]propanimidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]propanimidamide
PubChem CID3014537
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-[3-(dimethylamino)propyl]propanimidamide
SMILESCC/C(N)=N\CCCN(C)C
InChIInChI=1S/C8H19N3/c1-4-8(9)10-6-5-7-11(2)3/h4-7H2,1-3H3,(H2,9,10)
InChIKeyOHHGZZZDNFJMPR-UHFFFAOYSA-N
XLogP0.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.71
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-(dimethylamino)propyl]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 N'-[3-(dimethylamino)propyl]propanimidamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]propanimidamide (CID 3014537) is N'-[3-(dimethylamino)propyl]propanimidamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]propanimidamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]propanimidamide is CC/C(N)=N\CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]propanimidamide?
The InChIKey is OHHGZZZDNFJMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-4-8(9)10-6-5-7-11(2)3/h4-7H2,1-3H3,(H2,9,10).
What are the key properties of N'-[3-(dimethylamino)propyl]propanimidamide?
N'-[3-(dimethylamino)propyl]propanimidamide has a molecular weight of 157.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]propanimidamide is sourced from PubChem (CID 3014537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).