3-[butyl(ethyl)amino]pentanimidamide

C11H25N3 — CID 43175040

IUPAC3-[butyl(ethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CC)CCCC
InChIInChI=1S/C11H25N3/c1-4-7-8-14(6-3)10(5-2)9-11(12)13/h10H,4-9H2,1-3H3,(H3,12,13)
InChIKeyGSZUVAAJKDCUTD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.21
Rot. Bonds8

About 3-[butyl(ethyl)amino]pentanimidamide

3-[butyl(ethyl)amino]pentanimidamide (PubChem CID 43175040) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]pentanimidamide
PubChem CID43175040
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-[butyl(ethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CC)CCCC
InChIInChI=1S/C11H25N3/c1-4-7-8-14(6-3)10(5-2)9-11(12)13/h10H,4-9H2,1-3H3,(H3,12,13)
InChIKeyGSZUVAAJKDCUTD-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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-[butyl(ethyl)amino]pentanimidamide?
The IUPAC name of 3-[butyl(ethyl)amino]pentanimidamide (CID 43175040) is 3-[butyl(ethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[butyl(ethyl)amino]pentanimidamide?
The canonical SMILES for 3-[butyl(ethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(CC)CCCC.
What is the InChIKey of 3-[butyl(ethyl)amino]pentanimidamide?
The InChIKey is GSZUVAAJKDCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-7-8-14(6-3)10(5-2)9-11(12)13/h10H,4-9H2,1-3H3,(H3,12,13).
What are the key properties of 3-[butyl(ethyl)amino]pentanimidamide?
3-[butyl(ethyl)amino]pentanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]pentanimidamide is sourced from PubChem (CID 43175040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).