4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide

C14H22N4O — CID 57272065

IUPAC4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)C(CCC)/C(N)=N/[H])cc1
InChIInChI=1S/C14H22N4O/c1-3-4-12(14(17)18)9(2)19-11-7-5-10(6-8-11)13(15)16/h5-9,12H,3-4H2,1-2H3,(H3,15,16)(H3,17,18)
InChIKeyBNKPRSHSRYLPHU-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.09
Rot. Bonds7

About 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide

4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide (PubChem CID 57272065) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide
PubChem CID57272065
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC(C)C(CCC)/C(N)=N/[H])cc1
InChIInChI=1S/C14H22N4O/c1-3-4-12(14(17)18)9(2)19-11-7-5-10(6-8-11)13(15)16/h5-9,12H,3-4H2,1-2H3,(H3,15,16)(H3,17,18)
InChIKeyBNKPRSHSRYLPHU-UHFFFAOYSA-N
XLogP2.09
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.09
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-butoxybenzenecarboximidamide
CID 3015454
4-octoxybenzenecarboximidamide
CID 3302492
4-[2,8,9-tris(4-carbamimidoylphenoxy)nonoxy]benzenecarboximidamide
CID 57486165
4-aminooxybenzenecarboximidamide
CID 10441869
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
(4-carbamimidoylphenyl) 4-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoate
CID 21130044
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-[[3-[(4-carbamimidoylphenoxy)methyl]-5-propan-2-yloxyphenyl]methoxy]benzenecarboximidamide
CID 159866014
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248
4-[[3-[(4-carbamimidoylphenoxy)methyl]-5-propan-2-ylphenyl]methoxy]benzenecarboximidamide
CID 157409962

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide (CID 57272065) is 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC(C)C(CCC)/C(N)=N/[H])cc1.
What is the InChIKey of 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide?
The InChIKey is BNKPRSHSRYLPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-4-12(14(17)18)9(2)19-11-7-5-10(6-8-11)13(15)16/h5-9,12H,3-4H2,1-2H3,(H3,15,16)(H3,17,18).
What are the key properties of 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide?
4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamimidoylhexan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 57272065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).