3-(dibutylamino)propanimidamide

C11H25N3 — CID 28983242

IUPAC3-(dibutylamino)propanimidamide
SMILES[H]/N=C(\N)CCN(CCCC)CCCC
InChIInChI=1S/C11H25N3/c1-3-5-8-14(9-6-4-2)10-7-11(12)13/h3-10H2,1-2H3,(H3,12,13)
InChIKeyIHMALUZEFYIWBP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.21
Rot. Bonds9

About 3-(dibutylamino)propanimidamide

3-(dibutylamino)propanimidamide (PubChem CID 28983242) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(dibutylamino)propanimidamide.

Molecular Properties

Compound Name3-(dibutylamino)propanimidamide
PubChem CID28983242
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-(dibutylamino)propanimidamide
SMILES[H]/N=C(\N)CCN(CCCC)CCCC
InChIInChI=1S/C11H25N3/c1-3-5-8-14(9-6-4-2)10-7-11(12)13/h3-10H2,1-2H3,(H3,12,13)
InChIKeyIHMALUZEFYIWBP-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.21
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-(dibutylamino)propanimidamide?
The IUPAC name of 3-(dibutylamino)propanimidamide (CID 28983242) is 3-(dibutylamino)propanimidamide.
What is the SMILES notation for 3-(dibutylamino)propanimidamide?
The canonical SMILES for 3-(dibutylamino)propanimidamide is [H]/N=C(\N)CCN(CCCC)CCCC.
What is the InChIKey of 3-(dibutylamino)propanimidamide?
The InChIKey is IHMALUZEFYIWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-8-14(9-6-4-2)10-7-11(12)13/h3-10H2,1-2H3,(H3,12,13).
What are the key properties of 3-(dibutylamino)propanimidamide?
3-(dibutylamino)propanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)propanimidamide is sourced from PubChem (CID 28983242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).