3-(diethylamino)butanimidamide

C8H19N3 — CID 60913341

IUPAC3-(diethylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CC)CC
InChIInChI=1S/C8H19N3/c1-4-11(5-2)7(3)6-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyAPORMCWYSAEGNG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.04
Rot. Bonds5

About 3-(diethylamino)butanimidamide

3-(diethylamino)butanimidamide (PubChem CID 60913341) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(diethylamino)butanimidamide.

Molecular Properties

Compound Name3-(diethylamino)butanimidamide
PubChem CID60913341
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name3-(diethylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CC)CC
InChIInChI=1S/C8H19N3/c1-4-11(5-2)7(3)6-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyAPORMCWYSAEGNG-UHFFFAOYSA-N
XLogP1.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.04
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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Related Compounds

3-[ethyl(propyl)amino]butanimidamide
CID 60913163
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-methylbutanimidamide;hydrochloride
CID 18967932
3-(diethylamino)butanethioamide
CID 60913330
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-aminopentanimidamide
CID 79498775
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449
2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 65494169
3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468
3-[methyl(pyridin-4-yl)amino]butanimidamide
CID 63224751
2-(diethylamino)ethanimidamide
CID 3259588

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)butanimidamide?
The IUPAC name of 3-(diethylamino)butanimidamide (CID 60913341) is 3-(diethylamino)butanimidamide.
What is the SMILES notation for 3-(diethylamino)butanimidamide?
The canonical SMILES for 3-(diethylamino)butanimidamide is [H]/N=C(\N)CC(C)N(CC)CC.
What is the InChIKey of 3-(diethylamino)butanimidamide?
The InChIKey is APORMCWYSAEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-4-11(5-2)7(3)6-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10).
What are the key properties of 3-(diethylamino)butanimidamide?
3-(diethylamino)butanimidamide has a molecular weight of 157.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)butanimidamide is sourced from PubChem (CID 60913341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).