4-(2-hydroxypropylamino)benzenecarboximidamide

C10H15N3O — CID 82240553

IUPAC4-(2-hydroxypropylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCC(C)O)cc1
InChIInChI=1S/C10H15N3O/c1-7(14)6-13-9-4-2-8(3-5-9)10(11)12/h2-5,7,13-14H,6H2,1H3,(H3,11,12)
InChIKeyRJCMHLRXEKZBSL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.76
Rot. Bonds4

About 4-(2-hydroxypropylamino)benzenecarboximidamide

4-(2-hydroxypropylamino)benzenecarboximidamide (PubChem CID 82240553) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)benzenecarboximidamide
PubChem CID82240553
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(2-hydroxypropylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCC(C)O)cc1
InChIInChI=1S/C10H15N3O/c1-7(14)6-13-9-4-2-8(3-5-9)10(11)12/h2-5,7,13-14H,6H2,1H3,(H3,11,12)
InChIKeyRJCMHLRXEKZBSL-UHFFFAOYSA-N
XLogP0.76
TPSA82.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.76
H-Bond Donors ≤ 54
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

4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-[7-(4-carbamimidoylanilino)heptylamino]benzenecarboximidamide
CID 122182389
4-[[2-hydroxy-3-(phenacylamino)propyl]amino]benzenecarboximidamide
CID 141009959
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
N-(4-carbamimidoylphenyl)-2,3,3-trimethylbutanamide
CID 143855441
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
CID 59712632
4-[3-(4-methylphenyl)prop-2-ynylamino]benzenecarboximidamide
CID 18404821
4-[[2-hydroxy-3-[(4-propylphenyl)sulfonylmethylamino]propyl]amino]benzenecarboximidamide
CID 141009948
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
4-[[2-hydroxy-3-[[4-(2-methylbutan-2-yl)phenyl]sulfonylmethylamino]propyl]amino]benzenecarboximidamide
CID 139910173
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
[4-(2-hydroxypropylamino)phenyl]boronic acid
CID 155793577

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)benzenecarboximidamide?
The IUPAC name of 4-(2-hydroxypropylamino)benzenecarboximidamide (CID 82240553) is 4-(2-hydroxypropylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(2-hydroxypropylamino)benzenecarboximidamide?
The canonical SMILES for 4-(2-hydroxypropylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NCC(C)O)cc1.
What is the InChIKey of 4-(2-hydroxypropylamino)benzenecarboximidamide?
The InChIKey is RJCMHLRXEKZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(14)6-13-9-4-2-8(3-5-9)10(11)12/h2-5,7,13-14H,6H2,1H3,(H3,11,12).
What are the key properties of 4-(2-hydroxypropylamino)benzenecarboximidamide?
4-(2-hydroxypropylamino)benzenecarboximidamide has a molecular weight of 193.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)benzenecarboximidamide is sourced from PubChem (CID 82240553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).