N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide

C9H22N4 — CID 91143305

IUPACN-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)CCN(C)CCNC
InChIInChI=1S/C9H22N4/c1-9(10)13(4)8-7-12(3)6-5-11-2/h10-11H,5-8H2,1-4H3/b10-9+
InChIKeySZOYIECOHKSTEU-MDZDMXLPSA-N
MW186.30 g/mol
LogP0.07
Rot. Bonds6

About N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide

N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide (PubChem CID 91143305) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide
PubChem CID91143305
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC NameN-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)CCN(C)CCNC
InChIInChI=1S/C9H22N4/c1-9(10)13(4)8-7-12(3)6-5-11-2/h10-11H,5-8H2,1-4H3/b10-9+
InChIKeySZOYIECOHKSTEU-MDZDMXLPSA-N
XLogP0.07
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.07
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide?
The IUPAC name of N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide (CID 91143305) is N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide is [H]/N=C(\C)N(C)CCN(C)CCNC.
What is the InChIKey of N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide?
The InChIKey is SZOYIECOHKSTEU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H22N4/c1-9(10)13(4)8-7-12(3)6-5-11-2/h10-11H,5-8H2,1-4H3/b10-9+.
What are the key properties of N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide?
N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide has a molecular weight of 186.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]ethanimidamide is sourced from PubChem (CID 91143305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).