N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide

C13H26N2O — CID 63833468

IUPACN'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/CCOC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)12(14)15-9-10-16-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyDHVOJAVKSAQCDM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.74
Rot. Bonds4

About N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide

N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide (PubChem CID 63833468) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide
PubChem CID63833468
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/CCOC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)12(14)15-9-10-16-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyDHVOJAVKSAQCDM-UHFFFAOYSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-tert-butyl-2-(2-cycloheptyloxyethyl)guanidine
CID 111812597
2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
CID 62406041
1-amino-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
CID 104886365
4-cycloheptyloxy-2,2-dimethylbutanethioamide
CID 65247901
N'-(2-cyclopentyloxyethyl)morpholine-4-carboximidamide
CID 99816286
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491
4-cycloheptyloxy-2,2-dimethylbutanimidamide
CID 65251287
2-(2-cycloheptyloxyethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111812561
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
propoxycyclooctane
CID 54078990

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide (CID 63833468) is N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide is CC(C)(C)/C(N)=N/CCOC1CCCCC1.
What is the InChIKey of N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide?
The InChIKey is DHVOJAVKSAQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)12(14)15-9-10-16-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide?
N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide has a molecular weight of 226.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexyloxyethyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63833468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).