3-[2-(diethylamino)ethyl-methylamino]butanimidamide

C11H26N4 — CID 107912511

IUPAC3-[2-(diethylamino)ethyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCN(CC)CC
InChIInChI=1S/C11H26N4/c1-5-15(6-2)8-7-14(4)10(3)9-11(12)13/h10H,5-9H2,1-4H3,(H3,12,13)
InChIKeyJYWZNNCLWHHYFZ-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.97
Rot. Bonds8

About 3-[2-(diethylamino)ethyl-methylamino]butanimidamide

3-[2-(diethylamino)ethyl-methylamino]butanimidamide (PubChem CID 107912511) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-methylamino]butanimidamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-methylamino]butanimidamide
PubChem CID107912511
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-[2-(diethylamino)ethyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCN(CC)CC
InChIInChI=1S/C11H26N4/c1-5-15(6-2)8-7-14(4)10(3)9-11(12)13/h10H,5-9H2,1-4H3,(H3,12,13)
InChIKeyJYWZNNCLWHHYFZ-UHFFFAOYSA-N
XLogP0.97
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.97
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

3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449
3-(diethylamino)butanimidamide
CID 60913341
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
3-[ethyl(propyl)amino]butanimidamide
CID 60913163
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
2-(diethylamino)ethanimidamide
CID 3259588
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-methylamino]butanimidamide?
The IUPAC name of 3-[2-(diethylamino)ethyl-methylamino]butanimidamide (CID 107912511) is 3-[2-(diethylamino)ethyl-methylamino]butanimidamide.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-methylamino]butanimidamide?
The canonical SMILES for 3-[2-(diethylamino)ethyl-methylamino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CCN(CC)CC.
What is the InChIKey of 3-[2-(diethylamino)ethyl-methylamino]butanimidamide?
The InChIKey is JYWZNNCLWHHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-15(6-2)8-7-14(4)10(3)9-11(12)13/h10H,5-9H2,1-4H3,(H3,12,13).
What are the key properties of 3-[2-(diethylamino)ethyl-methylamino]butanimidamide?
3-[2-(diethylamino)ethyl-methylamino]butanimidamide has a molecular weight of 214.36 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-methylamino]butanimidamide is sourced from PubChem (CID 107912511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).