N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide

C12H22N2O — CID 63177022

IUPACN'-(oxan-2-ylmethyl)cyclopentanecarboximidamide
SMILESN/C(=N\CC1CCCCO1)C1CCCC1
InChIInChI=1S/C12H22N2O/c13-12(10-5-1-2-6-10)14-9-11-7-3-4-8-15-11/h10-11H,1-9H2,(H2,13,14)
InChIKeyWXIGXZYPJKTNBT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds3

About N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide

N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide (PubChem CID 63177022) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(oxan-2-ylmethyl)cyclopentanecarboximidamide
PubChem CID63177022
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-(oxan-2-ylmethyl)cyclopentanecarboximidamide
SMILESN/C(=N\CC1CCCCO1)C1CCCC1
InChIInChI=1S/C12H22N2O/c13-12(10-5-1-2-6-10)14-9-11-7-3-4-8-15-11/h10-11H,1-9H2,(H2,13,14)
InChIKeyWXIGXZYPJKTNBT-UHFFFAOYSA-N
XLogP2.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
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'-(oxan-2-ylmethyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide (CID 63177022) is N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide is N/C(=N\CC1CCCCO1)C1CCCC1.
What is the InChIKey of N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide?
The InChIKey is WXIGXZYPJKTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-12(10-5-1-2-6-10)14-9-11-7-3-4-8-15-11/h10-11H,1-9H2,(H2,13,14).
What are the key properties of N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide?
N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide has a molecular weight of 210.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63177022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).