N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide

C11H22N2O — CID 63176932

IUPACN'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide
SMILESCCOCC(C)/N=C(\N)C1CCCC1
InChIInChI=1S/C11H22N2O/c1-3-14-8-9(2)13-11(12)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyGXJZRWPUKQAXEI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.96
Rot. Bonds5

About N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide

N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide (PubChem CID 63176932) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide
PubChem CID63176932
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide
SMILESCCOCC(C)/N=C(\N)C1CCCC1
InChIInChI=1S/C11H22N2O/c1-3-14-8-9(2)13-11(12)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyGXJZRWPUKQAXEI-UHFFFAOYSA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.96
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'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide?
The IUPAC name of N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide (CID 63176932) is N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide is CCOCC(C)/N=C(\N)C1CCCC1.
What is the InChIKey of N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide?
The InChIKey is GXJZRWPUKQAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-14-8-9(2)13-11(12)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide?
N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide has a molecular weight of 198.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethoxypropan-2-yl)cyclopentanecarboximidamide is sourced from PubChem (CID 63176932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).