N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide

C9H19N3 — CID 163807518

IUPACN-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide
SMILES[H]/N=C(\C=C)N(CC)CCN(C)C
InChIInChI=1S/C9H19N3/c1-5-9(10)12(6-2)8-7-11(3)4/h5,10H,1,6-8H2,2-4H3/b10-9+
InChIKeyNKHUXKDOPMPYKO-MDZDMXLPSA-N
MW169.27 g/mol
LogP1.03
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide

N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide (PubChem CID 163807518) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide
PubChem CID163807518
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide
SMILES[H]/N=C(\C=C)N(CC)CCN(C)C
InChIInChI=1S/C9H19N3/c1-5-9(10)12(6-2)8-7-11(3)4/h5,10H,1,6-8H2,2-4H3/b10-9+
InChIKeyNKHUXKDOPMPYKO-MDZDMXLPSA-N
XLogP1.03
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
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 N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide (CID 163807518) is N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide is [H]/N=C(\C=C)N(CC)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide?
The InChIKey is NKHUXKDOPMPYKO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-9(10)12(6-2)8-7-11(3)4/h5,10H,1,6-8H2,2-4H3/b10-9+.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide?
N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethylprop-2-enimidamide is sourced from PubChem (CID 163807518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).