3-(dibutylamino)pentanimidamide

C13H29N3 — CID 43175092

IUPAC3-(dibutylamino)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCCC)CCCC
InChIInChI=1S/C13H29N3/c1-4-7-9-16(10-8-5-2)12(6-3)11-13(14)15/h12H,4-11H2,1-3H3,(H3,14,15)
InChIKeyXMGZFHGBTWHLHG-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.99
Rot. Bonds10

About 3-(dibutylamino)pentanimidamide

3-(dibutylamino)pentanimidamide (PubChem CID 43175092) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-(dibutylamino)pentanimidamide.

Molecular Properties

Compound Name3-(dibutylamino)pentanimidamide
PubChem CID43175092
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-(dibutylamino)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCCC)CCCC
InChIInChI=1S/C13H29N3/c1-4-7-9-16(10-8-5-2)12(6-3)11-13(14)15/h12H,4-11H2,1-3H3,(H3,14,15)
InChIKeyXMGZFHGBTWHLHG-UHFFFAOYSA-N
XLogP2.99
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.99
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)pentanimidamide?
The IUPAC name of 3-(dibutylamino)pentanimidamide (CID 43175092) is 3-(dibutylamino)pentanimidamide.
What is the SMILES notation for 3-(dibutylamino)pentanimidamide?
The canonical SMILES for 3-(dibutylamino)pentanimidamide is [H]/N=C(\N)CC(CC)N(CCCC)CCCC.
What is the InChIKey of 3-(dibutylamino)pentanimidamide?
The InChIKey is XMGZFHGBTWHLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-7-9-16(10-8-5-2)12(6-3)11-13(14)15/h12H,4-11H2,1-3H3,(H3,14,15).
What are the key properties of 3-(dibutylamino)pentanimidamide?
3-(dibutylamino)pentanimidamide has a molecular weight of 227.40 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)pentanimidamide is sourced from PubChem (CID 43175092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).