N'-(3-phenoxypropyl)propanimidamide

C12H18N2O — CID 63175356

IUPACN'-(3-phenoxypropyl)propanimidamide
SMILESCC/C(N)=N\CCCOc1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-12(13)14-9-6-10-15-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,13,14)
InChIKeyAEKKLWHKCPKUKS-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.22
Rot. Bonds6

About N'-(3-phenoxypropyl)propanimidamide

N'-(3-phenoxypropyl)propanimidamide (PubChem CID 63175356) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(3-phenoxypropyl)propanimidamide.

Molecular Properties

Compound NameN'-(3-phenoxypropyl)propanimidamide
PubChem CID63175356
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-(3-phenoxypropyl)propanimidamide
SMILESCC/C(N)=N\CCCOc1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-12(13)14-9-6-10-15-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,13,14)
InChIKeyAEKKLWHKCPKUKS-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.22
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'-(3-phenylpropyl)propanimidamide
CID 62049417
1-tert-butyl-2-(3-phenoxypropyl)guanidine
CID 55068831
methyl N'-(2-phenoxyethyl)carbamimidothioate
CID 163795646
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
1-(3,4-dimethylphenyl)-2-(3-phenoxypropyl)guanidine
CID 111036910
N-(3-methoxypropyl)-3-phenoxypropanimidate
CID 145047903
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
2-phenoxyethyl N'-methylcarbamimidothioate
CID 8776313
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
1-amino-2-(3-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
N'-benzylpropanimidamide
CID 45122449

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenoxypropyl)propanimidamide?
The IUPAC name of N'-(3-phenoxypropyl)propanimidamide (CID 63175356) is N'-(3-phenoxypropyl)propanimidamide.
What is the SMILES notation for N'-(3-phenoxypropyl)propanimidamide?
The canonical SMILES for N'-(3-phenoxypropyl)propanimidamide is CC/C(N)=N\CCCOc1ccccc1.
What is the InChIKey of N'-(3-phenoxypropyl)propanimidamide?
The InChIKey is AEKKLWHKCPKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-12(13)14-9-6-10-15-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,13,14).
What are the key properties of N'-(3-phenoxypropyl)propanimidamide?
N'-(3-phenoxypropyl)propanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenoxypropyl)propanimidamide is sourced from PubChem (CID 63175356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).