N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide

C10H22N4 — CID 137472774

IUPACN-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide
SMILESCCN(C)N/C(CC/C(C)=N/C)=N/C
InChIInChI=1S/C10H22N4/c1-6-14(5)13-10(12-4)8-7-9(2)11-3/h6-8H2,1-5H3,(H,12,13)/b11-9+
InChIKeyXKALKEUQLCLGFO-PKNBQFBNSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds5

About N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide

N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide (PubChem CID 137472774) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide.

Molecular Properties

Compound NameN-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide
PubChem CID137472774
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC NameN-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide
SMILESCCN(C)N/C(CC/C(C)=N/C)=N/C
InChIInChI=1S/C10H22N4/c1-6-14(5)13-10(12-4)8-7-9(2)11-3/h6-8H2,1-5H3,(H,12,13)/b11-9+
InChIKeyXKALKEUQLCLGFO-PKNBQFBNSA-N
XLogP1.34
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide?
The IUPAC name of N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide (CID 137472774) is N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide.
What is the SMILES notation for N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide?
The canonical SMILES for N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide is CCN(C)N/C(CC/C(C)=N/C)=N/C.
What is the InChIKey of N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide?
The InChIKey is XKALKEUQLCLGFO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H22N4/c1-6-14(5)13-10(12-4)8-7-9(2)11-3/h6-8H2,1-5H3,(H,12,13)/b11-9+.
What are the key properties of N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide?
N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide has a molecular weight of 198.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(methyl)amino]-N'-methyl-4-methyliminopentanimidamide is sourced from PubChem (CID 137472774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).