4-butoxybenzenecarboximidamide;hydrochloride

C11H17ClN2O — CID 3015453

IUPAC4-butoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCCCC)cc1
InChIInChI=1S/C11H16N2O.ClH/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;/h4-7H,2-3,8H2,1H3,(H3,12,13);1H
InChIKeyBKDZKCNGDFVPKR-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.57
Rot. Bonds5

About 4-butoxybenzenecarboximidamide;hydrochloride

4-butoxybenzenecarboximidamide;hydrochloride (PubChem CID 3015453) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-butoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-butoxybenzenecarboximidamide;hydrochloride
PubChem CID3015453
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-butoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCCCC)cc1
InChIInChI=1S/C11H16N2O.ClH/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;/h4-7H,2-3,8H2,1H3,(H3,12,13);1H
InChIKeyBKDZKCNGDFVPKR-UHFFFAOYSA-N
XLogP2.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.57
H-Bond Donors ≤ 52
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

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CID 4735
Hexamidine
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Propamidine
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CID 808423
N'-hydroxy-4-methoxybenzene-1-carboximidamide
CID 5360053
5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
CID 676755
Pentamidine dihydrochloride
CID 10431865
4-hexyloxy-N-hydroxybenzamidine
CID 5363804
4-Methoxybenzenecarboximidamide
CID 229074
4-Ethoxybenzene-1-carbothioamide
CID 2443179
4-(Trifluoromethoxy)benzamidoxime
CID 2733309

Frequently Asked Questions

What is the IUPAC name of 4-butoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-butoxybenzenecarboximidamide;hydrochloride (CID 3015453) is 4-butoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-butoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-butoxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCCCC)cc1.
What is the InChIKey of 4-butoxybenzenecarboximidamide;hydrochloride?
The InChIKey is BKDZKCNGDFVPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;/h4-7H,2-3,8H2,1H3,(H3,12,13);1H.
What are the key properties of 4-butoxybenzenecarboximidamide;hydrochloride?
4-butoxybenzenecarboximidamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3015453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).