3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide

C15H25N3O — CID 62937826

IUPAC3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCOc1ccccc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-13(2)18(11-9-15(16)17)10-6-12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H3,16,17)
InChIKeyANMBMRGEXXONDP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.49
Rot. Bonds9

About 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide

3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide (PubChem CID 62937826) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
PubChem CID62937826
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCOc1ccccc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-13(2)18(11-9-15(16)17)10-6-12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H3,16,17)
InChIKeyANMBMRGEXXONDP-UHFFFAOYSA-N
XLogP2.49
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
CID 141046918
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120
3-(4-benzylphenoxy)propanimidamide
CID 62274046
3-[(4-chlorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996572
4-(3-ethylphenoxy)butanimidamide
CID 24704166
4-(2-propan-2-ylphenoxy)butanimidamide
CID 24711306
3-[3-(4-benzylphenoxy)propyl-propan-2-ylamino]-N-methylsulfonylpropanamide
CID 54413102
3-[3-[2-methoxyethyl(propan-2-yl)amino]propoxy]benzenecarbothioamide
CID 82938117
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide (CID 62937826) is 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CCCOc1ccccc1)C(C)C.
What is the InChIKey of 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide?
The InChIKey is ANMBMRGEXXONDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)18(11-9-15(16)17)10-6-12-19-14-7-4-3-5-8-14/h3-5,7-8,13H,6,9-12H2,1-2H3,(H3,16,17).
What are the key properties of 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide?
3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 62937826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).