4-[3-(dimethylamino)propyl-ethylamino]butanimidamide

C11H26N4 — CID 102993815

IUPAC4-[3-(dimethylamino)propyl-ethylamino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CC)CCCN(C)C
InChIInChI=1S/C11H26N4/c1-4-15(9-5-7-11(12)13)10-6-8-14(2)3/h4-10H2,1-3H3,(H3,12,13)
InChIKeyXKYNEUYLOBWOEM-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.98
Rot. Bonds9

About 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide

4-[3-(dimethylamino)propyl-ethylamino]butanimidamide (PubChem CID 102993815) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]butanimidamide
PubChem CID102993815
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CC)CCCN(C)C
InChIInChI=1S/C11H26N4/c1-4-15(9-5-7-11(12)13)10-6-8-14(2)3/h4-10H2,1-3H3,(H3,12,13)
InChIKeyXKYNEUYLOBWOEM-UHFFFAOYSA-N
XLogP0.98
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N,N-Diethylbutanimidamide
CID 57106491
3-(Dimethylamino)propanimidamide
CID 3307867
4-(Dimethylamino)butanimidamide
CID 21508029
4-[Ethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61604533
4-[Propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61604535
3-[Propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61604536
N,N-dipropylbutanimidamide
CID 62048118
3-[Ethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 64565887
4-[Methyl(3,3,3-trifluoropropyl)amino]butanimidamide
CID 65538578
3-[2-Fluoroethyl(methyl)amino]butanimidamide
CID 80693769
3-[Ethyl(2-fluoroethyl)amino]-2-methylpropanimidamide
CID 80695718
3-[Ethyl(2-fluoroethyl)amino]propanimidamide
CID 80695719

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide (CID 102993815) is 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide is [H]/N=C(\N)CCCN(CC)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide?
The InChIKey is XKYNEUYLOBWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-4-15(9-5-7-11(12)13)10-6-8-14(2)3/h4-10H2,1-3H3,(H3,12,13).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide?
4-[3-(dimethylamino)propyl-ethylamino]butanimidamide has a molecular weight of 214.36 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]butanimidamide is sourced from PubChem (CID 102993815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).