N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide

C13H24N2O — CID 63707932

IUPACN-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide
SMILES[H]/N=C(\C1CCCC1)N(C)CC1CCCOC1
InChIInChI=1S/C13H24N2O/c1-15(9-11-5-4-8-16-10-11)13(14)12-6-2-3-7-12/h11-12,14H,2-10H2,1H3/b14-13+
InChIKeyJFMMVFREZVZNNR-BUHFOSPRSA-N
MW224.35 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide

N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide (PubChem CID 63707932) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide
PubChem CID63707932
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide
SMILES[H]/N=C(\C1CCCC1)N(C)CC1CCCOC1
InChIInChI=1S/C13H24N2O/c1-15(9-11-5-4-8-16-10-11)13(14)12-6-2-3-7-12/h11-12,14H,2-10H2,1H3/b14-13+
InChIKeyJFMMVFREZVZNNR-BUHFOSPRSA-N
XLogP2.51
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.51
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-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide (CID 63707932) is N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide is [H]/N=C(\C1CCCC1)N(C)CC1CCCOC1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide?
The InChIKey is JFMMVFREZVZNNR-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(9-11-5-4-8-16-10-11)13(14)12-6-2-3-7-12/h11-12,14H,2-10H2,1H3/b14-13+.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide?
N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide has a molecular weight of 224.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63707932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).