3-[butyl(ethyl)amino]propanimidamide

C9H21N3 — CID 24702423

IUPAC3-[butyl(ethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)CCCC
InChIInChI=1S/C9H21N3/c1-3-5-7-12(4-2)8-6-9(10)11/h3-8H2,1-2H3,(H3,10,11)
InChIKeyJRHYTFAMEOPJNN-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.43
Rot. Bonds7

About 3-[butyl(ethyl)amino]propanimidamide

3-[butyl(ethyl)amino]propanimidamide (PubChem CID 24702423) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]propanimidamide
PubChem CID24702423
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name3-[butyl(ethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)CCCC
InChIInChI=1S/C9H21N3/c1-3-5-7-12(4-2)8-6-9(10)11/h3-8H2,1-2H3,(H3,10,11)
InChIKeyJRHYTFAMEOPJNN-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 3-[butyl(ethyl)amino]propanimidamide?
The IUPAC name of 3-[butyl(ethyl)amino]propanimidamide (CID 24702423) is 3-[butyl(ethyl)amino]propanimidamide.
What is the SMILES notation for 3-[butyl(ethyl)amino]propanimidamide?
The canonical SMILES for 3-[butyl(ethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)CCCC.
What is the InChIKey of 3-[butyl(ethyl)amino]propanimidamide?
The InChIKey is JRHYTFAMEOPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-3-5-7-12(4-2)8-6-9(10)11/h3-8H2,1-2H3,(H3,10,11).
What are the key properties of 3-[butyl(ethyl)amino]propanimidamide?
3-[butyl(ethyl)amino]propanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]propanimidamide is sourced from PubChem (CID 24702423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).