N'-[2-(dimethylamino)propyl]propanimidamide

C8H19N3 — CID 45088420

IUPACN'-[2-(dimethylamino)propyl]propanimidamide
SMILESCC/C(N)=N\CC(C)N(C)C
InChIInChI=1S/C8H19N3/c1-5-8(9)10-6-7(2)11(3)4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyOVPHPEXXMJFPPS-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.70
Rot. Bonds4

About N'-[2-(dimethylamino)propyl]propanimidamide

N'-[2-(dimethylamino)propyl]propanimidamide (PubChem CID 45088420) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-[2-(dimethylamino)propyl]propanimidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)propyl]propanimidamide
PubChem CID45088420
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-[2-(dimethylamino)propyl]propanimidamide
SMILESCC/C(N)=N\CC(C)N(C)C
InChIInChI=1S/C8H19N3/c1-5-8(9)10-6-7(2)11(3)4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyOVPHPEXXMJFPPS-UHFFFAOYSA-N
XLogP0.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)propyl]propanimidamide?
The IUPAC name of N'-[2-(dimethylamino)propyl]propanimidamide (CID 45088420) is N'-[2-(dimethylamino)propyl]propanimidamide.
What is the SMILES notation for N'-[2-(dimethylamino)propyl]propanimidamide?
The canonical SMILES for N'-[2-(dimethylamino)propyl]propanimidamide is CC/C(N)=N\CC(C)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)propyl]propanimidamide?
The InChIKey is OVPHPEXXMJFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-5-8(9)10-6-7(2)11(3)4/h7H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of N'-[2-(dimethylamino)propyl]propanimidamide?
N'-[2-(dimethylamino)propyl]propanimidamide has a molecular weight of 157.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)propyl]propanimidamide is sourced from PubChem (CID 45088420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).