N'-(2-butoxyethyl)cyclohexanecarboximidamide

C13H26N2O — CID 63177531

IUPACN'-(2-butoxyethyl)cyclohexanecarboximidamide
SMILESCCCCOCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-3-10-16-11-9-15-13(14)12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H2,14,15)
InChIKeyUCBVLAGKXBHKHZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.74
Rot. Bonds7

About N'-(2-butoxyethyl)cyclohexanecarboximidamide

N'-(2-butoxyethyl)cyclohexanecarboximidamide (PubChem CID 63177531) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N'-(2-butoxyethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(2-butoxyethyl)cyclohexanecarboximidamide
PubChem CID63177531
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN'-(2-butoxyethyl)cyclohexanecarboximidamide
SMILESCCCCOCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-3-10-16-11-9-15-13(14)12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H2,14,15)
InChIKeyUCBVLAGKXBHKHZ-UHFFFAOYSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
N'-(2-butoxyethyl)-2-methylpropanimidamide
CID 63177473
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
N-[2-[[N'-[2-(2-butoxyethoxy)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111693887
3-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
CID 63177883
N'-(2-piperidin-1-ylethyl)cyclohexanecarboximidamide
CID 63176513
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
N'-(2-methoxy-2-methylpropyl)cyclohexanecarboximidamide
CID 104766078
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-butoxyethanethioamide
CID 43267695

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(2-butoxyethyl)cyclohexanecarboximidamide (CID 63177531) is N'-(2-butoxyethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(2-butoxyethyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(2-butoxyethyl)cyclohexanecarboximidamide is CCCCOCC/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(2-butoxyethyl)cyclohexanecarboximidamide?
The InChIKey is UCBVLAGKXBHKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-10-16-11-9-15-13(14)12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H2,14,15).
What are the key properties of N'-(2-butoxyethyl)cyclohexanecarboximidamide?
N'-(2-butoxyethyl)cyclohexanecarboximidamide has a molecular weight of 226.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63177531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).