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

C12H25N3 — CID 63316536

IUPACN'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\CCN(C)C1CCCC1
InChIInChI=1S/C12H25N3/c1-10(2)12(13)14-8-9-15(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyGFNKKHHUAHWVQF-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.87
Rot. Bonds5

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

N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide (PubChem CID 63316536) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide
PubChem CID63316536
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide
SMILESCC(C)/C(N)=N\CCN(C)C1CCCC1
InChIInChI=1S/C12H25N3/c1-10(2)12(13)14-8-9-15(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyGFNKKHHUAHWVQF-UHFFFAOYSA-N
XLogP1.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.87
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-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide?
The IUPAC name of N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide (CID 63316536) is N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide is CC(C)/C(N)=N\CCN(C)C1CCCC1.
What is the InChIKey of N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide?
The InChIKey is GFNKKHHUAHWVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)12(13)14-8-9-15(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide?
N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide has a molecular weight of 211.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropanimidamide is sourced from PubChem (CID 63316536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).