N-(2-aminoethyl)-N-methylethanimidamide

C5H13N3 — CID 59020735

IUPACN-(2-aminoethyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCN
InChIInChI=1S/C5H13N3/c1-5(7)8(2)4-3-6/h7H,3-4,6H2,1-2H3/b7-5+
InChIKeyZCYGTEINMLHGDK-FNORWQNLSA-N
MW115.18 g/mol
LogP-0.13
Rot. Bonds2

About N-(2-aminoethyl)-N-methylethanimidamide

N-(2-aminoethyl)-N-methylethanimidamide (PubChem CID 59020735) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylethanimidamide
PubChem CID59020735
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN-(2-aminoethyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCN
InChIInChI=1S/C5H13N3/c1-5(7)8(2)4-3-6/h7H,3-4,6H2,1-2H3/b7-5+
InChIKeyZCYGTEINMLHGDK-FNORWQNLSA-N
XLogP-0.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.13
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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylethanimidamide?
The IUPAC name of N-(2-aminoethyl)-N-methylethanimidamide (CID 59020735) is N-(2-aminoethyl)-N-methylethanimidamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methylethanimidamide?
The canonical SMILES for N-(2-aminoethyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)CCN.
What is the InChIKey of N-(2-aminoethyl)-N-methylethanimidamide?
The InChIKey is ZCYGTEINMLHGDK-FNORWQNLSA-N. The full InChI is InChI=1S/C5H13N3/c1-5(7)8(2)4-3-6/h7H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of N-(2-aminoethyl)-N-methylethanimidamide?
N-(2-aminoethyl)-N-methylethanimidamide has a molecular weight of 115.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methylethanimidamide is sourced from PubChem (CID 59020735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).