N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide

C9H21N3 — CID 63173155

IUPACN'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide
SMILESCCN(C)CC/N=C(\N)C(C)C
InChIInChI=1S/C9H21N3/c1-5-12(4)7-6-11-9(10)8(2)3/h8H,5-7H2,1-4H3,(H2,10,11)
InChIKeyJOROHVIMCPBCNK-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.95
Rot. Bonds5

About N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide

N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide (PubChem CID 63173155) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide
PubChem CID63173155
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide
SMILESCCN(C)CC/N=C(\N)C(C)C
InChIInChI=1S/C9H21N3/c1-5-12(4)7-6-11-9(10)8(2)3/h8H,5-7H2,1-4H3,(H2,10,11)
InChIKeyJOROHVIMCPBCNK-UHFFFAOYSA-N
XLogP0.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.95
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-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide?
The IUPAC name of N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide (CID 63173155) is N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide is CCN(C)CC/N=C(\N)C(C)C.
What is the InChIKey of N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide?
The InChIKey is JOROHVIMCPBCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-12(4)7-6-11-9(10)8(2)3/h8H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide?
N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide has a molecular weight of 171.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanimidamide is sourced from PubChem (CID 63173155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).