3-(4-propoxyphenoxy)pentanimidamide

C14H22N2O2 — CID 43368840

IUPAC3-(4-propoxyphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(OCCC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-9-17-12-5-7-13(8-6-12)18-11(4-2)10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H3,15,16)
InChIKeyCINPMSKCDIKSMF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.96
Rot. Bonds8

About 3-(4-propoxyphenoxy)pentanimidamide

3-(4-propoxyphenoxy)pentanimidamide (PubChem CID 43368840) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(4-propoxyphenoxy)pentanimidamide.

Molecular Properties

Compound Name3-(4-propoxyphenoxy)pentanimidamide
PubChem CID43368840
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(4-propoxyphenoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)Oc1ccc(OCCC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-9-17-12-5-7-13(8-6-12)18-11(4-2)10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H3,15,16)
InChIKeyCINPMSKCDIKSMF-UHFFFAOYSA-N
XLogP2.96
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-propoxyphenoxy)pentanethioamide
CID 43368833
3-(3,4-dimethylphenoxy)pentanimidamide
CID 43368304
3-(4-nitrophenoxy)pentanimidamide
CID 114996514
3-(3-methylphenoxy)pentanimidamide
CID 43368318
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
3-(2-fluorophenoxy)pentanimidamide
CID 43368257
2-methyl-3-(4-propoxyphenoxy)propanimidamide
CID 43175340
2-(4-propoxyphenoxy)-N-propylbutan-1-amine
CID 55076769
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
2-[4-[2-[4-(1,4-diamino-1,4-diiminobutan-2-yl)phenoxy]ethoxy]phenyl]butanediimidamide
CID 176706831
1-propan-2-yloxy-4-propoxybenzene
CID 57276091

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenoxy)pentanimidamide?
The IUPAC name of 3-(4-propoxyphenoxy)pentanimidamide (CID 43368840) is 3-(4-propoxyphenoxy)pentanimidamide.
What is the SMILES notation for 3-(4-propoxyphenoxy)pentanimidamide?
The canonical SMILES for 3-(4-propoxyphenoxy)pentanimidamide is [H]/N=C(\N)CC(CC)Oc1ccc(OCCC)cc1.
What is the InChIKey of 3-(4-propoxyphenoxy)pentanimidamide?
The InChIKey is CINPMSKCDIKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-17-12-5-7-13(8-6-12)18-11(4-2)10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H3,15,16).
What are the key properties of 3-(4-propoxyphenoxy)pentanimidamide?
3-(4-propoxyphenoxy)pentanimidamide has a molecular weight of 250.34 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenoxy)pentanimidamide is sourced from PubChem (CID 43368840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).