N'-pentylcyclopentanecarboximidamide

C11H22N2 — CID 63174158

IUPACN'-pentylcyclopentanecarboximidamide
SMILESCCCCC/N=C(\N)C1CCCC1
InChIInChI=1S/C11H22N2/c1-2-3-6-9-13-11(12)10-7-4-5-8-10/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyLMXRRVRGWSCYDS-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.72
Rot. Bonds5

About N'-pentylcyclopentanecarboximidamide

N'-pentylcyclopentanecarboximidamide (PubChem CID 63174158) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-pentylcyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-pentylcyclopentanecarboximidamide
PubChem CID63174158
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-pentylcyclopentanecarboximidamide
SMILESCCCCC/N=C(\N)C1CCCC1
InChIInChI=1S/C11H22N2/c1-2-3-6-9-13-11(12)10-7-4-5-8-10/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyLMXRRVRGWSCYDS-UHFFFAOYSA-N
XLogP2.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-pentylcyclopentanecarboximidamide?
The IUPAC name of N'-pentylcyclopentanecarboximidamide (CID 63174158) is N'-pentylcyclopentanecarboximidamide.
What is the SMILES notation for N'-pentylcyclopentanecarboximidamide?
The canonical SMILES for N'-pentylcyclopentanecarboximidamide is CCCCC/N=C(\N)C1CCCC1.
What is the InChIKey of N'-pentylcyclopentanecarboximidamide?
The InChIKey is LMXRRVRGWSCYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-6-9-13-11(12)10-7-4-5-8-10/h10H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-pentylcyclopentanecarboximidamide?
N'-pentylcyclopentanecarboximidamide has a molecular weight of 182.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentylcyclopentanecarboximidamide is sourced from PubChem (CID 63174158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).