2-(butylamino)ethanimidamide

C6H15N3 — CID 126615338

IUPAC2-(butylamino)ethanimidamide
SMILES[H]/N=C(\N)CNCCCC
InChIInChI=1S/C6H15N3/c1-2-3-4-9-5-6(7)8/h9H,2-5H2,1H3,(H3,7,8)
InChIKeyDZDNIWKTKIGYST-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.31
Rot. Bonds5

About 2-(butylamino)ethanimidamide

2-(butylamino)ethanimidamide (PubChem CID 126615338) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 2-(butylamino)ethanimidamide.

Molecular Properties

Compound Name2-(butylamino)ethanimidamide
PubChem CID126615338
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name2-(butylamino)ethanimidamide
SMILES[H]/N=C(\N)CNCCCC
InChIInChI=1S/C6H15N3/c1-2-3-4-9-5-6(7)8/h9H,2-5H2,1H3,(H3,7,8)
InChIKeyDZDNIWKTKIGYST-UHFFFAOYSA-N
XLogP0.31
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(butylamino)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iminoheptanimidamide
CID 158715697
acetamide;N-butylbutan-1-amine
CID 172792447
butylaminomethanol;propane
CID 169245417
formic acid;octadecanimidamide
CID 160757976
2-butylsulfanylethanimidamide
CID 43615832
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
N-butylbutan-1-amine;hydrochloride
CID 3083954
(Z)-3-(butylamino)but-2-enimidamide
CID 146481635
N-butylbutan-1-amine;propan-1-ol
CID 174657089
3-[butyl(methyl)amino]propanimidamide
CID 24696065
propyl 2-(butylamino)acetate
CID 118604269
2-(butylamino)acetyl chloride;hydrochloride
CID 87301147

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethanimidamide?
The IUPAC name of 2-(butylamino)ethanimidamide (CID 126615338) is 2-(butylamino)ethanimidamide.
What is the SMILES notation for 2-(butylamino)ethanimidamide?
The canonical SMILES for 2-(butylamino)ethanimidamide is [H]/N=C(\N)CNCCCC.
What is the InChIKey of 2-(butylamino)ethanimidamide?
The InChIKey is DZDNIWKTKIGYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-2-3-4-9-5-6(7)8/h9H,2-5H2,1H3,(H3,7,8).
What are the key properties of 2-(butylamino)ethanimidamide?
2-(butylamino)ethanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethanimidamide is sourced from PubChem (CID 126615338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).