N'-butylcyclopentanecarboximidamide

C10H20N2 — CID 63174480

IUPACN'-butylcyclopentanecarboximidamide
SMILESCCCC/N=C(\N)C1CCCC1
InChIInChI=1S/C10H20N2/c1-2-3-8-12-10(11)9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyJABLYHSMXYTZOR-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.33
Rot. Bonds4

About N'-butylcyclopentanecarboximidamide

N'-butylcyclopentanecarboximidamide (PubChem CID 63174480) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-butylcyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-butylcyclopentanecarboximidamide
PubChem CID63174480
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-butylcyclopentanecarboximidamide
SMILESCCCC/N=C(\N)C1CCCC1
InChIInChI=1S/C10H20N2/c1-2-3-8-12-10(11)9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12)
InChIKeyJABLYHSMXYTZOR-UHFFFAOYSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.33
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'-butylcyclopentanecarboximidamide?
The IUPAC name of N'-butylcyclopentanecarboximidamide (CID 63174480) is N'-butylcyclopentanecarboximidamide.
What is the SMILES notation for N'-butylcyclopentanecarboximidamide?
The canonical SMILES for N'-butylcyclopentanecarboximidamide is CCCC/N=C(\N)C1CCCC1.
What is the InChIKey of N'-butylcyclopentanecarboximidamide?
The InChIKey is JABLYHSMXYTZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-8-12-10(11)9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-butylcyclopentanecarboximidamide?
N'-butylcyclopentanecarboximidamide has a molecular weight of 168.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylcyclopentanecarboximidamide is sourced from PubChem (CID 63174480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).