N'-propylcyclopentanecarboximidamide

C9H18N2 — CID 63173861

IUPACN'-propylcyclopentanecarboximidamide
SMILESCCC/N=C(\N)C1CCCC1
InChIInChI=1S/C9H18N2/c1-2-7-11-9(10)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyGGSKITBVOPXDMT-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.94
Rot. Bonds3

About N'-propylcyclopentanecarboximidamide

N'-propylcyclopentanecarboximidamide (PubChem CID 63173861) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-propylcyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-propylcyclopentanecarboximidamide
PubChem CID63173861
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-propylcyclopentanecarboximidamide
SMILESCCC/N=C(\N)C1CCCC1
InChIInChI=1S/C9H18N2/c1-2-7-11-9(10)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyGGSKITBVOPXDMT-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-propylcyclopentanecarboximidamide?
The IUPAC name of N'-propylcyclopentanecarboximidamide (CID 63173861) is N'-propylcyclopentanecarboximidamide.
What is the SMILES notation for N'-propylcyclopentanecarboximidamide?
The canonical SMILES for N'-propylcyclopentanecarboximidamide is CCC/N=C(\N)C1CCCC1.
What is the InChIKey of N'-propylcyclopentanecarboximidamide?
The InChIKey is GGSKITBVOPXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-7-11-9(10)8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-propylcyclopentanecarboximidamide?
N'-propylcyclopentanecarboximidamide has a molecular weight of 154.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylcyclopentanecarboximidamide is sourced from PubChem (CID 63173861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).